3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one

C9H12N2O — CID 169473127

IUPAC3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one
SMILESCNCC=Cc1ccc[nH]c1=O
InChIInChI=1S/C9H12N2O/c1-10-6-2-4-8-5-3-7-11-9(8)12/h2-5,7,10H,6H2,1H3,(H,11,12)
InChIKeyIFYXYOBGHHDFEI-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.61
Rot. Bonds3

About 3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one

3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one (PubChem CID 169473127) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one
PubChem CID169473127
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one
SMILESCNCC=Cc1ccc[nH]c1=O
InChIInChI=1S/C9H12N2O/c1-10-6-2-4-8-5-3-7-11-9(8)12/h2-5,7,10H,6H2,1H3,(H,11,12)
InChIKeyIFYXYOBGHHDFEI-UHFFFAOYSA-N
XLogP0.61
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one
CID 169473083
3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
CID 169461306
ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 169480024
4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde
CID 169474327
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169473456
3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one
CID 70475987
3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine
CID 169473159
N-methyl-3-(2-phenylphenyl)prop-2-en-1-amine
CID 169474332
2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473296
3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one
CID 155930388
2-[3-(methylamino)prop-1-enyl]-6-nitrophenol
CID 169474040

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one (CID 169473127) is 3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one is CNCC=Cc1ccc[nH]c1=O.
What is the InChIKey of 3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one?
The InChIKey is IFYXYOBGHHDFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-10-6-2-4-8-5-3-7-11-9(8)12/h2-5,7,10H,6H2,1H3,(H,11,12).
What are the key properties of 3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one?
3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one is sourced from PubChem (CID 169473127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).