1-[3-(methylamino)propyl]pyridin-2-one

C9H14N2O — CID 61387321

IUPAC1-[3-(methylamino)propyl]pyridin-2-one
SMILESCNCCCn1ccccc1=O
InChIInChI=1S/C9H14N2O/c1-10-6-4-8-11-7-3-2-5-9(11)12/h2-3,5,7,10H,4,6,8H2,1H3
InChIKeyBQAWUARSIJJOFP-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.46
Rot. Bonds4

About 1-[3-(methylamino)propyl]pyridin-2-one

1-[3-(methylamino)propyl]pyridin-2-one (PubChem CID 61387321) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[3-(methylamino)propyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(methylamino)propyl]pyridin-2-one
PubChem CID61387321
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-[3-(methylamino)propyl]pyridin-2-one
SMILESCNCCCn1ccccc1=O
InChIInChI=1S/C9H14N2O/c1-10-6-4-8-11-7-3-2-5-9(11)12/h2-3,5,7,10H,4,6,8H2,1H3
InChIKeyBQAWUARSIJJOFP-UHFFFAOYSA-N
XLogP0.46
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)propyl]pyridin-2-one?
The IUPAC name of 1-[3-(methylamino)propyl]pyridin-2-one (CID 61387321) is 1-[3-(methylamino)propyl]pyridin-2-one.
What is the SMILES notation for 1-[3-(methylamino)propyl]pyridin-2-one?
The canonical SMILES for 1-[3-(methylamino)propyl]pyridin-2-one is CNCCCn1ccccc1=O.
What is the InChIKey of 1-[3-(methylamino)propyl]pyridin-2-one?
The InChIKey is BQAWUARSIJJOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-10-6-4-8-11-7-3-2-5-9(11)12/h2-3,5,7,10H,4,6,8H2,1H3.
What are the key properties of 1-[3-(methylamino)propyl]pyridin-2-one?
1-[3-(methylamino)propyl]pyridin-2-one has a molecular weight of 166.22 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propyl]pyridin-2-one is sourced from PubChem (CID 61387321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).