3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one

C9H14N4O — CID 63296054

IUPAC3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one
SMILESCn1ccnc1CN1CCC(N)C1=O
InChIInChI=1S/C9H14N4O/c1-12-5-3-11-8(12)6-13-4-2-7(10)9(13)14/h3,5,7H,2,4,6,10H2,1H3
InChIKeyOMQDOEHPFWHIOC-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.52
Rot. Bonds2

About 3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one

3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one (PubChem CID 63296054) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one
PubChem CID63296054
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one
SMILESCn1ccnc1CN1CCC(N)C1=O
InChIInChI=1S/C9H14N4O/c1-12-5-3-11-8(12)6-13-4-2-7(10)9(13)14/h3,5,7H,2,4,6,10H2,1H3
InChIKeyOMQDOEHPFWHIOC-UHFFFAOYSA-N
XLogP-0.52
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one (CID 63296054) is 3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one is Cn1ccnc1CN1CCC(N)C1=O.
What is the InChIKey of 3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is OMQDOEHPFWHIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-5-3-11-8(12)6-13-4-2-7(10)9(13)14/h3,5,7H,2,4,6,10H2,1H3.
What are the key properties of 3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one?
3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 63296054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).