1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one

C9H13NO — CID 10511022

IUPAC1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one
SMILESC=CCC1CC=CC(=O)N1C
InChIInChI=1S/C9H13NO/c1-3-5-8-6-4-7-9(11)10(8)2/h3-4,7-8H,1,5-6H2,2H3
InChIKeyREGALXJTOCQWAF-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds2

About 1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one

1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one (PubChem CID 10511022) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one
PubChem CID10511022
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one
SMILESC=CCC1CC=CC(=O)N1C
InChIInChI=1S/C9H13NO/c1-3-5-8-6-4-7-9(11)10(8)2/h3-4,7-8H,1,5-6H2,2H3
InChIKeyREGALXJTOCQWAF-UHFFFAOYSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylamino)-N,N-dimethylhex-2-enamide
CID 44570055
1-Prop-2-enoyl-2,3-dihydropyridin-6-one
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1-[(E)-but-2-enoyl]-2,3-dihydropyridin-6-one
CID 137631456
(2E,4E)-5,9-dimethyl-N,N-di(propan-2-yl)deca-2,4,8-trienamide
CID 44561471
(2S,6S)-1-acetyl-4-methyl-2,6-diprop-2-enyl-1,2,5,6-tetrahydropyridine
CID 726193
1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 3980505
1,4-dimethyl-2-propyl-2H-pyrrol-5-one
CID 13331590
(Z)-N,N-diethylhept-2-enamide
CID 162678727
6-Methyl-5,6-dihydropyridin-2(1h)-one
CID 241023
1,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
CID 12662945
1-Methyl-5,6-dihydropyridin-2(1H)-one
CID 18414702
Pentenoic acid diethylamide
CID 53924574

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one?
The IUPAC name of 1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one (CID 10511022) is 1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one is C=CCC1CC=CC(=O)N1C.
What is the InChIKey of 1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one?
The InChIKey is REGALXJTOCQWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-5-8-6-4-7-9(11)10(8)2/h3-4,7-8H,1,5-6H2,2H3.
What are the key properties of 1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one?
1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one has a molecular weight of 151.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 10511022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).