(Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one

C14H18ClNO — CID 92529470

IUPAC(Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one
SMILESC[C@H](CN(C)C)C(=O)/C=C\c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO/c1-11(10-16(2)3)14(17)9-6-12-4-7-13(15)8-5-12/h4-9,11H,10H2,1-3H3/b9-6-/t11-/m1/s1
InChIKeyFHFGLPJJZGSQLF-DHHDDZJSSA-N
MW251.76 g/mol
LogP3.12
Rot. Bonds5

About (Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one

(Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one (PubChem CID 92529470) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one.

Molecular Properties

Compound Name(Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one
PubChem CID92529470
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one
SMILESC[C@H](CN(C)C)C(=O)/C=C\c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO/c1-11(10-16(2)3)14(17)9-6-12-4-7-13(15)8-5-12/h4-9,11H,10H2,1-3H3/b9-6-/t11-/m1/s1
InChIKeyFHFGLPJJZGSQLF-DHHDDZJSSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-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

(E)-5-(dimethylamino)-1-(3,4-dimethylphenyl)-4-methylpent-1-en-3-one;hydrochloride
CID 6514878
propan-2-yl 3-(4-chlorophenyl)prop-2-enoate
CID 2755677
(E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 6272400
(E)-3-(4-chlorophenyl)-N-(3-hydroxybutyl)-N-methylprop-2-enamide
CID 113248547
(1E,4Z)-1-(4-chlorophenyl)-5-(dimethylamino)penta-1,4-dien-3-one
CID 92898014
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
butan-2-yl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 130331827
(E)-4-(4-chlorophenyl)-1-hydroxybut-3-en-2-one
CID 176797692
[2-(dimethylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2445901
(E)-3-(4-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)prop-2-enamide
CID 806243
CID 59090945
CID 59090945
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411

Frequently Asked Questions

What is the IUPAC name of (Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one?
The IUPAC name of (Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one (CID 92529470) is (Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one.
What is the SMILES notation for (Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one?
The canonical SMILES for (Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one is C[C@H](CN(C)C)C(=O)/C=C\c1ccc(Cl)cc1.
What is the InChIKey of (Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one?
The InChIKey is FHFGLPJJZGSQLF-DHHDDZJSSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-11(10-16(2)3)14(17)9-6-12-4-7-13(15)8-5-12/h4-9,11H,10H2,1-3H3/b9-6-/t11-/m1/s1.
What are the key properties of (Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one?
(Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one has a molecular weight of 251.76 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one is sourced from PubChem (CID 92529470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).