5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one

C18H21NO2 — CID 19352656

IUPAC5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one
SMILESCC(O)CCC/C=C/c1ccc(-c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C18H21NO2/c1-14(20)5-3-2-4-6-15-7-9-16(10-8-15)17-11-12-18(21)19-13-17/h4,6-14,20H,2-3,5H2,1H3,(H,19,21)/b6-4+
InChIKeyKGZFXNZLTFHRJG-GQCTYLIASA-N
MW283.37 g/mol
LogP3.61
Rot. Bonds6

About 5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one

5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one (PubChem CID 19352656) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one
PubChem CID19352656
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one
SMILESCC(O)CCC/C=C/c1ccc(-c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C18H21NO2/c1-14(20)5-3-2-4-6-15-7-9-16(10-8-15)17-11-12-18(21)19-13-17/h4,6-14,20H,2-3,5H2,1H3,(H,19,21)/b6-4+
InChIKeyKGZFXNZLTFHRJG-GQCTYLIASA-N
XLogP3.61
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one (CID 19352656) is 5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one is CC(O)CCC/C=C/c1ccc(-c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of 5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one?
The InChIKey is KGZFXNZLTFHRJG-GQCTYLIASA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(20)5-3-2-4-6-15-7-9-16(10-8-15)17-11-12-18(21)19-13-17/h4,6-14,20H,2-3,5H2,1H3,(H,19,21)/b6-4+.
What are the key properties of 5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one?
5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one has a molecular weight of 283.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 19352656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).