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

C7H9NO — CID 141441018

IUPAC1-ethenyl-3,4-dihydropyridin-2-one
SMILESC=CN1C=CCCC1=O
InChIInChI=1S/C7H9NO/c1-2-8-6-4-3-5-7(8)9/h2,4,6H,1,3,5H2
InChIKeyAGUGZXNUOPZOFP-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.27
Rot. Bonds1

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

1-ethenyl-3,4-dihydropyridin-2-one (PubChem CID 141441018) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1-ethenyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-ethenyl-3,4-dihydropyridin-2-one
PubChem CID141441018
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1-ethenyl-3,4-dihydropyridin-2-one
SMILESC=CN1C=CCCC1=O
InChIInChI=1S/C7H9NO/c1-2-8-6-4-3-5-7(8)9/h2,4,6H,1,3,5H2
InChIKeyAGUGZXNUOPZOFP-UHFFFAOYSA-N
XLogP1.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,4-dihydropyridin-2-one?
The IUPAC name of 1-ethenyl-3,4-dihydropyridin-2-one (CID 141441018) is 1-ethenyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-ethenyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-ethenyl-3,4-dihydropyridin-2-one is C=CN1C=CCCC1=O.
What is the InChIKey of 1-ethenyl-3,4-dihydropyridin-2-one?
The InChIKey is AGUGZXNUOPZOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-8-6-4-3-5-7(8)9/h2,4,6H,1,3,5H2.
What are the key properties of 1-ethenyl-3,4-dihydropyridin-2-one?
1-ethenyl-3,4-dihydropyridin-2-one has a molecular weight of 123.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 141441018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).