(Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one

C16H14ClNO — CID 138509516

IUPAC(Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one
SMILESC/C(=C/c1ccnc(C)c1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO/c1-11(8-13-6-7-18-12(2)9-13)16(19)14-4-3-5-15(17)10-14/h3-10H,1-2H3/b11-8-
InChIKeyRESLEZBCCIYUEQ-FLIBITNWSA-N
MW271.75 g/mol
LogP4.33
Rot. Bonds3

About (Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one

(Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one (PubChem CID 138509516) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is (Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one
PubChem CID138509516
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name(Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one
SMILESC/C(=C/c1ccnc(C)c1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO/c1-11(8-13-6-7-18-12(2)9-13)16(19)14-4-3-5-15(17)10-14/h3-10H,1-2H3/b11-8-
InChIKeyRESLEZBCCIYUEQ-FLIBITNWSA-N
XLogP4.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(2-methyl-4-pyridinyl)prop-2-enoic acid
CID 123906623
(2Z)-2-[(3-chlorophenyl)methylidene]-1-phenylbutane-1,3-dione
CID 5388570
(Z)-4-(2-methyl-4-pyridinyl)but-3-en-2-one
CID 118346777
(Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid
CID 118346776
(E)-3-(2-methyl-4-pyridinyl)prop-2-enoic acid
CID 12799556
1-(2-acetylphenyl)-2-(3-chlorophenyl)ethane-1,2-dione
CID 141466088
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
2-chloro-1-(3-chlorophenyl)prop-2-en-1-one
CID 23626689
(3-chlorophenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756107
1-[(E)-but-2-en-2-yl]-3-chlorobenzene
CID 20717800
3-[(3-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1040986
1-(3-bromoquinolin-6-yl)-2-(3-chlorophenyl)ethane-1,2-dione
CID 146662076

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one (CID 138509516) is (Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one is C/C(=C/c1ccnc(C)c1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of (Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one?
The InChIKey is RESLEZBCCIYUEQ-FLIBITNWSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-11(8-13-6-7-18-12(2)9-13)16(19)14-4-3-5-15(17)10-14/h3-10H,1-2H3/b11-8-.
What are the key properties of (Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one?
(Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one has a molecular weight of 271.75 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-chlorophenyl)-2-methyl-3-(2-methyl-4-pyridinyl)prop-2-en-1-one is sourced from PubChem (CID 138509516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).