ethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one

C9H13NO2 — CID 143869742

IUPACethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one
SMILESCC.O=c1cc(/C=C/O)cc[nH]1
InChIInChI=1S/C7H7NO2.C2H6/c9-4-2-6-1-3-8-7(10)5-6;1-2/h1-5,9H,(H,8,10);1-2H3/b4-2+;
InChIKeyHGVANQVHQHVHPY-VEELZWTKSA-N
MW167.21 g/mol
LogP1.93
Rot. Bonds1

About ethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one

ethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one (PubChem CID 143869742) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is ethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one
PubChem CID143869742
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Nameethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one
SMILESCC.O=c1cc(/C=C/O)cc[nH]1
InChIInChI=1S/C7H7NO2.C2H6/c9-4-2-6-1-3-8-7(10)5-6;1-2/h1-5,9H,(H,8,10);1-2H3/b4-2+;
InChIKeyHGVANQVHQHVHPY-VEELZWTKSA-N
XLogP1.93
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one?
The IUPAC name of ethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one (CID 143869742) is ethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one.
What is the SMILES notation for ethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one?
The canonical SMILES for ethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one is CC.O=c1cc(/C=C/O)cc[nH]1.
What is the InChIKey of ethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one?
The InChIKey is HGVANQVHQHVHPY-VEELZWTKSA-N. The full InChI is InChI=1S/C7H7NO2.C2H6/c9-4-2-6-1-3-8-7(10)5-6;1-2/h1-5,9H,(H,8,10);1-2H3/b4-2+;.
What are the key properties of ethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one?
ethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(E)-2-hydroxyethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 143869742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).