3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one

C11H11NO — CID 123858410

IUPAC3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(C=CC1CC1)c1cccnc1
InChIInChI=1S/C11H11NO/c13-11(6-5-9-3-4-9)10-2-1-7-12-8-10/h1-2,5-9H,3-4H2
InChIKeyLMESBIBRJDDMQB-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.23
Rot. Bonds3

About 3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one

3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one (PubChem CID 123858410) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one
PubChem CID123858410
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(C=CC1CC1)c1cccnc1
InChIInChI=1S/C11H11NO/c13-11(6-5-9-3-4-9)10-2-1-7-12-8-10/h1-2,5-9H,3-4H2
InChIKeyLMESBIBRJDDMQB-UHFFFAOYSA-N
XLogP2.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.23
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

(E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one
CID 118355721
4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 53427422
(Z)-4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 167311390
(E)-1-(6-bromo-3-pyridinyl)-3-cyclopropylprop-2-en-1-one
CID 118355754
(E)-3-cyclopentyl-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 108924523
3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 78574297
(E)-3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7946379
(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 19553305
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
(E)-5,5,5-trifluoro-1-pyridin-3-ylpent-2-en-1-one
CID 19554973
2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide
CID 173406298
(2E)-2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide
CID 173406297

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of 3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one (CID 123858410) is 3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for 3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for 3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one is O=C(C=CC1CC1)c1cccnc1.
What is the InChIKey of 3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one?
The InChIKey is LMESBIBRJDDMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-11(6-5-9-3-4-9)10-2-1-7-12-8-10/h1-2,5-9H,3-4H2.
What are the key properties of 3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one?
3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one has a molecular weight of 173.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 123858410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).