1-methyl-2H-pyridine;pyrrolidin-2-one

C10H16N2O — CID 159514985

IUPAC1-methyl-2H-pyridine;pyrrolidin-2-one
SMILESCN1C=CC=CC1.O=C1CCCN1
InChIInChI=1S/C6H9N.C4H7NO/c1-7-5-3-2-4-6-7;6-4-2-1-3-5-4/h2-5H,6H2,1H3;1-3H2,(H,5,6)
InChIKeyMBBNWMCLQICNKE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.90
Rot. Bonds

About 1-methyl-2H-pyridine;pyrrolidin-2-one

1-methyl-2H-pyridine;pyrrolidin-2-one (PubChem CID 159514985) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-2H-pyridine;pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-2H-pyridine;pyrrolidin-2-one
PubChem CID159514985
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-methyl-2H-pyridine;pyrrolidin-2-one
SMILESCN1C=CC=CC1.O=C1CCCN1
InChIInChI=1S/C6H9N.C4H7NO/c1-7-5-3-2-4-6-7;6-4-2-1-3-5-4/h2-5H,6H2,1H3;1-3H2,(H,5,6)
InChIKeyMBBNWMCLQICNKE-UHFFFAOYSA-N
XLogP0.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2H-pyridine;pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-pyridine;pyrrolidin-2-one?
The IUPAC name of 1-methyl-2H-pyridine;pyrrolidin-2-one (CID 159514985) is 1-methyl-2H-pyridine;pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-2H-pyridine;pyrrolidin-2-one?
The canonical SMILES for 1-methyl-2H-pyridine;pyrrolidin-2-one is CN1C=CC=CC1.O=C1CCCN1.
What is the InChIKey of 1-methyl-2H-pyridine;pyrrolidin-2-one?
The InChIKey is MBBNWMCLQICNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C4H7NO/c1-7-5-3-2-4-6-7;6-4-2-1-3-5-4/h2-5H,6H2,1H3;1-3H2,(H,5,6).
What are the key properties of 1-methyl-2H-pyridine;pyrrolidin-2-one?
1-methyl-2H-pyridine;pyrrolidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-pyridine;pyrrolidin-2-one is sourced from PubChem (CID 159514985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).