4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one

C9H14N4O — CID 130804951

IUPAC4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one
SMILESCN1CC(NCc2cnc[nH]2)CC1=O
InChIInChI=1S/C9H14N4O/c1-13-5-7(2-9(13)14)11-4-8-3-10-6-12-8/h3,6-7,11H,2,4-5H2,1H3,(H,10,12)
InChIKeyQQRVWCBWIMABDZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.27
Rot. Bonds3

About 4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one

4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one (PubChem CID 130804951) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one
PubChem CID130804951
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one
SMILESCN1CC(NCc2cnc[nH]2)CC1=O
InChIInChI=1S/C9H14N4O/c1-13-5-7(2-9(13)14)11-4-8-3-10-6-12-8/h3,6-7,11H,2,4-5H2,1H3,(H,10,12)
InChIKeyQQRVWCBWIMABDZ-UHFFFAOYSA-N
XLogP-0.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one (CID 130804951) is 4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one is CN1CC(NCc2cnc[nH]2)CC1=O.
What is the InChIKey of 4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one?
The InChIKey is QQRVWCBWIMABDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-5-7(2-9(13)14)11-4-8-3-10-6-12-8/h3,6-7,11H,2,4-5H2,1H3,(H,10,12).
What are the key properties of 4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one?
4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 130804951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).