CAS
916214-29-4 Purity
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916214-29-4 Purity
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The molecular formula is C9H13N3O.
The molecular weight is 179.22 g/mol.
The IUPAC name is 1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-2-one.
The InChI is InChI=1S/C9H13N3O/c1-7-10-5-8(11-7)6-12-4-2-3-9(12)13/h5H,2-4,6H2,1H3,(H,10,11).
The InChIKey is DLZVSRZPABRHMI-UHFFFAOYSA-N.
The canonical SMILES is CC1=NC=C(N1)CN2CCCC2=O.
The XLogP3-AA value is -0.1.
It has 1 hydrogen bond donor count.
It has 2 hydrogen bond acceptor counts.
It has 2 rotatable bond counts.