(Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one

C11H12N2O — CID 129058833

IUPAC(Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one
SMILESC/N=C(/C=C\C(C)=O)c1cccnc1
InChIInChI=1S/C11H12N2O/c1-9(14)5-6-11(12-2)10-4-3-7-13-8-10/h3-8H,1-2H3/b6-5-,12-11-
InChIKeyILDANPSGGUXGEC-KSIKAEMPSA-N
MW188.23 g/mol
LogP1.65
Rot. Bonds3

About (Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one

(Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one (PubChem CID 129058833) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one
PubChem CID129058833
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one
SMILESC/N=C(/C=C\C(C)=O)c1cccnc1
InChIInChI=1S/C11H12N2O/c1-9(14)5-6-11(12-2)10-4-3-7-13-8-10/h3-8H,1-2H3/b6-5-,12-11-
InChIKeyILDANPSGGUXGEC-KSIKAEMPSA-N
XLogP1.65
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-3-ylethanone;hydrochloride
CID 69233376
formonitrile;1-pyridin-3-ylethanone
CID 174750729
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide
CID 173104208
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
(2E,4E)-5-pyridin-3-ylhexa-2,4-dienoic acid
CID 116822591
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 53427422
(Z)-4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 167311390
nickel;pyridine-3-carboxylic acid
CID 174049937
1-pyridin-3-ylethanethione
CID 11815891

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one?
The IUPAC name of (Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one (CID 129058833) is (Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one.
What is the SMILES notation for (Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one?
The canonical SMILES for (Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one is C/N=C(/C=C\C(C)=O)c1cccnc1.
What is the InChIKey of (Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one?
The InChIKey is ILDANPSGGUXGEC-KSIKAEMPSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9(14)5-6-11(12-2)10-4-3-7-13-8-10/h3-8H,1-2H3/b6-5-,12-11-.
What are the key properties of (Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one?
(Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one is sourced from PubChem (CID 129058833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).