(E)-1-pyridin-3-ylpent-3-en-2-one

C10H11NO — CID 103453253

IUPAC(E)-1-pyridin-3-ylpent-3-en-2-one
SMILESC/C=C/C(=O)Cc1cccnc1
InChIInChI=1S/C10H11NO/c1-2-4-10(12)7-9-5-3-6-11-8-9/h2-6,8H,7H2,1H3/b4-2+
InChIKeyXHMYDIWLXMIGKH-DUXPYHPUSA-N
MW161.20 g/mol
LogP1.77
Rot. Bonds3

About (E)-1-pyridin-3-ylpent-3-en-2-one

(E)-1-pyridin-3-ylpent-3-en-2-one (PubChem CID 103453253) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (E)-1-pyridin-3-ylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-1-pyridin-3-ylpent-3-en-2-one
PubChem CID103453253
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(E)-1-pyridin-3-ylpent-3-en-2-one
SMILESC/C=C/C(=O)Cc1cccnc1
InChIInChI=1S/C10H11NO/c1-2-4-10(12)7-9-5-3-6-11-8-9/h2-6,8H,7H2,1H3/b4-2+
InChIKeyXHMYDIWLXMIGKH-DUXPYHPUSA-N
XLogP1.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide
CID 178011059
CID 66868100
CID 66868100
2-pyridin-3-ylacetyl chloride
CID 14697475
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
1-pyridin-3-ylpent-4-yn-2-one
CID 62551536
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108
(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 13405147
(E)-1-(4-methylphenyl)pent-3-en-2-one
CID 21252003
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
3-pyridin-3-yl-2-sulfanylidenepropanoic acid
CID 7376223

Frequently Asked Questions

What is the IUPAC name of (E)-1-pyridin-3-ylpent-3-en-2-one?
The IUPAC name of (E)-1-pyridin-3-ylpent-3-en-2-one (CID 103453253) is (E)-1-pyridin-3-ylpent-3-en-2-one.
What is the SMILES notation for (E)-1-pyridin-3-ylpent-3-en-2-one?
The canonical SMILES for (E)-1-pyridin-3-ylpent-3-en-2-one is C/C=C/C(=O)Cc1cccnc1.
What is the InChIKey of (E)-1-pyridin-3-ylpent-3-en-2-one?
The InChIKey is XHMYDIWLXMIGKH-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-4-10(12)7-9-5-3-6-11-8-9/h2-6,8H,7H2,1H3/b4-2+.
What are the key properties of (E)-1-pyridin-3-ylpent-3-en-2-one?
(E)-1-pyridin-3-ylpent-3-en-2-one has a molecular weight of 161.20 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-pyridin-3-ylpent-3-en-2-one is sourced from PubChem (CID 103453253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).