1-butyl-3,4-dihydropyridin-2-one

C9H15NO — CID 102173697

IUPAC1-butyl-3,4-dihydropyridin-2-one
SMILESCCCCN1C=CCCC1=O
InChIInChI=1S/C9H15NO/c1-2-3-7-10-8-5-4-6-9(10)11/h5,8H,2-4,6-7H2,1H3
InChIKeyYZIPXJFPOVEMNO-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.92
Rot. Bonds3

About 1-butyl-3,4-dihydropyridin-2-one

1-butyl-3,4-dihydropyridin-2-one (PubChem CID 102173697) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-butyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-butyl-3,4-dihydropyridin-2-one
PubChem CID102173697
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-butyl-3,4-dihydropyridin-2-one
SMILESCCCCN1C=CCCC1=O
InChIInChI=1S/C9H15NO/c1-2-3-7-10-8-5-4-6-9(10)11/h5,8H,2-4,6-7H2,1H3
InChIKeyYZIPXJFPOVEMNO-UHFFFAOYSA-N
XLogP1.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-methyl-3,4-dihydropyridin-2(1H)-one
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1,4,4-trimethyl-3H-pyridin-2-one
CID 54526996
1-[(E)-pent-1-enyl]pyrrolidin-2-one
CID 18954375
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CID 54000386
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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,4-dihydropyridin-2-one?
The IUPAC name of 1-butyl-3,4-dihydropyridin-2-one (CID 102173697) is 1-butyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-butyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-butyl-3,4-dihydropyridin-2-one is CCCCN1C=CCCC1=O.
What is the InChIKey of 1-butyl-3,4-dihydropyridin-2-one?
The InChIKey is YZIPXJFPOVEMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-7-10-8-5-4-6-9(10)11/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 1-butyl-3,4-dihydropyridin-2-one?
1-butyl-3,4-dihydropyridin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 102173697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).