1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one

C15H23NO — CID 102245924

IUPAC1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one
SMILESC=C(C)C1=CCCC(=O)N1CCCC/C=C/C
InChIInChI=1S/C15H23NO/c1-4-5-6-7-8-12-16-14(13(2)3)10-9-11-15(16)17/h4-5,10H,2,6-9,11-12H2,1,3H3/b5-4+
InChIKeyPQVIFIWLOBAWJB-SNAWJCMRSA-N
MW233.35 g/mol
LogP3.82
Rot. Bonds6

About 1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one

1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one (PubChem CID 102245924) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one
PubChem CID102245924
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one
SMILESC=C(C)C1=CCCC(=O)N1CCCC/C=C/C
InChIInChI=1S/C15H23NO/c1-4-5-6-7-8-12-16-14(13(2)3)10-9-11-15(16)17/h4-5,10H,2,6-9,11-12H2,1,3H3/b5-4+
InChIKeyPQVIFIWLOBAWJB-SNAWJCMRSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one?
The IUPAC name of 1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one (CID 102245924) is 1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one is C=C(C)C1=CCCC(=O)N1CCCC/C=C/C.
What is the InChIKey of 1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one?
The InChIKey is PQVIFIWLOBAWJB-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-5-6-7-8-12-16-14(13(2)3)10-9-11-15(16)17/h4-5,10H,2,6-9,11-12H2,1,3H3/b5-4+.
What are the key properties of 1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one?
1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one has a molecular weight of 233.35 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 102245924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).