[(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate

C18H17ClO3 — CID 92529928

IUPAC[(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate
SMILESC=CCC1=C(C)[C@H](OC(=O)/C=C\c2ccccc2Cl)CC1=O
InChIInChI=1S/C18H17ClO3/c1-3-6-14-12(2)17(11-16(14)20)22-18(21)10-9-13-7-4-5-8-15(13)19/h3-5,7-10,17H,1,6,11H2,2H3/b10-9-/t17-/m1/s1
InChIKeySDQAOKBAZBWUMM-DOOKAGJSSA-N
MW316.78 g/mol
LogP4.13
Rot. Bonds5

About [(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate

[(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate (PubChem CID 92529928) has the molecular formula C18H17ClO3 and a molecular weight of 316.78 g/mol. Its IUPAC name is [(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate
PubChem CID92529928
Molecular FormulaC18H17ClO3
Molecular Weight316.78 g/mol
Exact Mass316.09
IUPAC Name[(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate
SMILESC=CCC1=C(C)[C@H](OC(=O)/C=C\c2ccccc2Cl)CC1=O
InChIInChI=1S/C18H17ClO3/c1-3-6-14-12(2)17(11-16(14)20)22-18(21)10-9-13-7-4-5-8-15(13)19/h3-5,7-10,17H,1,6,11H2,2H3/b10-9-/t17-/m1/s1
InChIKeySDQAOKBAZBWUMM-DOOKAGJSSA-N
XLogP4.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.78
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate 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

(2,5-dioxopyrrolidin-1-yl) 3-(2-chlorophenyl)prop-2-enoate
CID 4777919
amino (E)-3-(2-chlorophenyl)prop-2-enoate
CID 10012953
ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118
[(1S)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (E,2R)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhex-3-enoate
CID 6442752
bis(prop-2-enyl) 4-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 44614889
(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
ethyl (E)-4-(2-chlorophenyl)-2-oxobut-3-enoate
CID 53386631
(E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 879942
2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate
CID 4980822
[2-(1-adamantyl)-2-oxoethyl] 3-(2-chlorophenyl)prop-2-enoate
CID 4310072
(4-cyanophenyl)methyl (E)-3-(2-chlorophenyl)prop-2-enoate
CID 6055047
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate?
The IUPAC name of [(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate (CID 92529928) is [(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate.
What is the SMILES notation for [(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate?
The canonical SMILES for [(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate is C=CCC1=C(C)[C@H](OC(=O)/C=C\c2ccccc2Cl)CC1=O.
What is the InChIKey of [(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate?
The InChIKey is SDQAOKBAZBWUMM-DOOKAGJSSA-N. The full InChI is InChI=1S/C18H17ClO3/c1-3-6-14-12(2)17(11-16(14)20)22-18(21)10-9-13-7-4-5-8-15(13)19/h3-5,7-10,17H,1,6,11H2,2H3/b10-9-/t17-/m1/s1.
What are the key properties of [(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate?
[(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate has a molecular weight of 316.78 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (Z)-3-(2-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 92529928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).