5-imino-4-methylpyrrolidin-2-one

C5H8N2O — CID 155183688

IUPAC5-imino-4-methylpyrrolidin-2-one
SMILES[H]/N=C1/NC(=O)CC1C
InChIInChI=1S/C5H8N2O/c1-3-2-4(8)7-5(3)6/h3H,2H2,1H3,(H2,6,7,8)
InChIKeyUBVKOOVDLXBBJK-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.12
Rot. Bonds

About 5-imino-4-methylpyrrolidin-2-one

5-imino-4-methylpyrrolidin-2-one (PubChem CID 155183688) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-imino-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-imino-4-methylpyrrolidin-2-one
PubChem CID155183688
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name5-imino-4-methylpyrrolidin-2-one
SMILES[H]/N=C1/NC(=O)CC1C
InChIInChI=1S/C5H8N2O/c1-3-2-4(8)7-5(3)6/h3H,2H2,1H3,(H2,6,7,8)
InChIKeyUBVKOOVDLXBBJK-UHFFFAOYSA-N
XLogP0.12
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-imino-4-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Iminopyrrolidin-2-one
CID 140347680
3,3-Dimethyl-5-methyliminopyrrolidin-2-one
CID 135830855
3-Methyl-5-methyliminopyrrolidin-2-one
CID 135989661
2H-Pyrrol-2-one, 3,4-dihydro-5-(methylamino)-
CID 136203066
5-Imino-1,4-dimethylpyrrolidin-2-one
CID 139438521
5-Imino-1,3-dimethylpyrrolidin-2-one
CID 144377464
5-Imino-3-methylpyrrolidin-2-one
CID 154046549
5-Imino-3,3,4,4-tetramethylpyrrolidin-2-one
CID 154133814
5-Imino-4-propan-2-ylpyrrolidin-2-one
CID 170186942
N-(3-methylbutanimidoyl)butanamide
CID 173299062
N-(2-methylpropanimidoyl)propanamide
CID 173555264
2-methyl-N-(2-methylpropanimidoyl)butanamide
CID 173564971

Frequently Asked Questions

What is the IUPAC name of 5-imino-4-methylpyrrolidin-2-one?
The IUPAC name of 5-imino-4-methylpyrrolidin-2-one (CID 155183688) is 5-imino-4-methylpyrrolidin-2-one.
What is the SMILES notation for 5-imino-4-methylpyrrolidin-2-one?
The canonical SMILES for 5-imino-4-methylpyrrolidin-2-one is [H]/N=C1/NC(=O)CC1C.
What is the InChIKey of 5-imino-4-methylpyrrolidin-2-one?
The InChIKey is UBVKOOVDLXBBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-3-2-4(8)7-5(3)6/h3H,2H2,1H3,(H2,6,7,8).
What are the key properties of 5-imino-4-methylpyrrolidin-2-one?
5-imino-4-methylpyrrolidin-2-one has a molecular weight of 112.13 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-methylpyrrolidin-2-one is sourced from PubChem (CID 155183688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).