4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one

C9H14N4O — CID 66118126

IUPAC4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one
SMILESCN1C(=O)CC(N)C1c1cncn1C
InChIInChI=1S/C9H14N4O/c1-12-5-11-4-7(12)9-6(10)3-8(14)13(9)2/h4-6,9H,3,10H2,1-2H3
InChIKeyLLYBDQDATVMGSC-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.35
Rot. Bonds1

About 4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one

4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one (PubChem CID 66118126) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one
PubChem CID66118126
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one
SMILESCN1C(=O)CC(N)C1c1cncn1C
InChIInChI=1S/C9H14N4O/c1-12-5-11-4-7(12)9-6(10)3-8(14)13(9)2/h4-6,9H,3,10H2,1-2H3
InChIKeyLLYBDQDATVMGSC-UHFFFAOYSA-N
XLogP-0.35
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one (CID 66118126) is 4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one is CN1C(=O)CC(N)C1c1cncn1C.
What is the InChIKey of 4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one?
The InChIKey is LLYBDQDATVMGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-5-11-4-7(12)9-6(10)3-8(14)13(9)2/h4-6,9H,3,10H2,1-2H3.
What are the key properties of 4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one?
4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 66118126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).