1-but-1-en-2-yl-3,4-dihydropyridin-2-one

C9H13NO — CID 143209004

IUPAC1-but-1-en-2-yl-3,4-dihydropyridin-2-one
SMILESC=C(CC)N1C=CCCC1=O
InChIInChI=1S/C9H13NO/c1-3-8(2)10-7-5-4-6-9(10)11/h5,7H,2-4,6H2,1H3
InChIKeyYHFIVMMUXFMJSL-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.05
Rot. Bonds2

About 1-but-1-en-2-yl-3,4-dihydropyridin-2-one

1-but-1-en-2-yl-3,4-dihydropyridin-2-one (PubChem CID 143209004) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-but-1-en-2-yl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-but-1-en-2-yl-3,4-dihydropyridin-2-one
PubChem CID143209004
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-but-1-en-2-yl-3,4-dihydropyridin-2-one
SMILESC=C(CC)N1C=CCCC1=O
InChIInChI=1S/C9H13NO/c1-3-8(2)10-7-5-4-6-9(10)11/h5,7H,2-4,6H2,1H3
InChIKeyYHFIVMMUXFMJSL-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-hydroxy-3,4-dihydropyridin-2-one
CID 69149460
tert-butyl 2-oxo-4,5-dihydro-3H-azepine-1-carboxylate
CID 70185050
tert-butyl 2-methylidene-3,4-dihydropyridine-1-carboxylate
CID 166448085
(2-oxo-3,4-dihydropyridin-1-yl) acetate;(2-sulfanylidene-3,4-dihydropyridin-1-yl) acetate
CID 144851597
4-butan-2-ylidenecyclohexan-1-one;ethene
CID 69152512
2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one
CID 21311474
N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide
CID 91074149
ethyl 2-oxo-3H-azepine-1-carboxylate
CID 142847563
ethane;N-(2-methylcyclohexa-1,3-dien-1-yl)butan-2-imine
CID 144554138
ethene;1-ethylpyrrolidine-2,5-dione
CID 143516533
1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium
CID 173117449
6-but-1-en-2-yl-6-azaspiro[2.5]octane
CID 156718709

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-3,4-dihydropyridin-2-one?
The IUPAC name of 1-but-1-en-2-yl-3,4-dihydropyridin-2-one (CID 143209004) is 1-but-1-en-2-yl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-but-1-en-2-yl-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-but-1-en-2-yl-3,4-dihydropyridin-2-one is C=C(CC)N1C=CCCC1=O.
What is the InChIKey of 1-but-1-en-2-yl-3,4-dihydropyridin-2-one?
The InChIKey is YHFIVMMUXFMJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-8(2)10-7-5-4-6-9(10)11/h5,7H,2-4,6H2,1H3.
What are the key properties of 1-but-1-en-2-yl-3,4-dihydropyridin-2-one?
1-but-1-en-2-yl-3,4-dihydropyridin-2-one has a molecular weight of 151.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 143209004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).