2-pyridin-3-ylpent-1-en-3-one

C10H11NO — CID 155931297

IUPAC2-pyridin-3-ylpent-1-en-3-one
SMILESC=C(C(=O)CC)c1cccnc1
InChIInChI=1S/C10H11NO/c1-3-10(12)8(2)9-5-4-6-11-7-9/h4-7H,2-3H2,1H3
InChIKeyAMWHVFLKYBDVQG-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.07
Rot. Bonds3

About 2-pyridin-3-ylpent-1-en-3-one

2-pyridin-3-ylpent-1-en-3-one (PubChem CID 155931297) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-pyridin-3-ylpent-1-en-3-one.

Molecular Properties

Compound Name2-pyridin-3-ylpent-1-en-3-one
PubChem CID155931297
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-pyridin-3-ylpent-1-en-3-one
SMILESC=C(C(=O)CC)c1cccnc1
InChIInChI=1S/C10H11NO/c1-3-10(12)8(2)9-5-4-6-11-7-9/h4-7H,2-3H2,1H3
InChIKeyAMWHVFLKYBDVQG-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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

1-pyridin-3-ylpentan-1-one
CID 12648543
iodoethane;pyridine-3-carboxylic acid
CID 158495952
2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one
CID 141355230
methanesulfonic acid;2-pyridin-3-ylprop-2-enamide
CID 174863919
1-pyridin-3-ylundecan-1-one
CID 19756112
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
bis(pyridine-3-carboxylate);ruthenium(2+)
CID 87535471
neodymium(3+);pyridine-3-carboxylate
CID 23619365
5-ethoxy-1-pyridin-3-ylpentan-1-one
CID 121009142
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylpent-1-en-3-one?
The IUPAC name of 2-pyridin-3-ylpent-1-en-3-one (CID 155931297) is 2-pyridin-3-ylpent-1-en-3-one.
What is the SMILES notation for 2-pyridin-3-ylpent-1-en-3-one?
The canonical SMILES for 2-pyridin-3-ylpent-1-en-3-one is C=C(C(=O)CC)c1cccnc1.
What is the InChIKey of 2-pyridin-3-ylpent-1-en-3-one?
The InChIKey is AMWHVFLKYBDVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-10(12)8(2)9-5-4-6-11-7-9/h4-7H,2-3H2,1H3.
What are the key properties of 2-pyridin-3-ylpent-1-en-3-one?
2-pyridin-3-ylpent-1-en-3-one has a molecular weight of 161.20 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylpent-1-en-3-one is sourced from PubChem (CID 155931297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).