methyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate

C15H16O3 — CID 102482847

IUPACmethyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate
SMILESCOC(=O)[C@]1(Cc2ccccc2)C=CC(=O)CC1
InChIInChI=1S/C15H16O3/c1-18-14(17)15(9-7-13(16)8-10-15)11-12-5-3-2-4-6-12/h2-7,9H,8,10-11H2,1H3/t15-/m1/s1
InChIKeyRANXDELAIZSNSB-OAHLLOKOSA-N
MW244.29 g/mol
LogP2.31
Rot. Bonds3

About methyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate

methyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate (PubChem CID 102482847) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate
PubChem CID102482847
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate
SMILESCOC(=O)[C@]1(Cc2ccccc2)C=CC(=O)CC1
InChIInChI=1S/C15H16O3/c1-18-14(17)15(9-7-13(16)8-10-15)11-12-5-3-2-4-6-12/h2-7,9H,8,10-11H2,1H3/t15-/m1/s1
InChIKeyRANXDELAIZSNSB-OAHLLOKOSA-N
XLogP2.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate 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

methyl (1S)-1-benzyl-2-oxocyclohexane-1-carboxylate
CID 13267388
methyl (1S)-1-[(2-nitrophenyl)methyl]-4-oxocyclopent-2-ene-1-carboxylate
CID 102482837
methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 11150585
methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate
CID 86231403
dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate
CID 10494793
2-benzyl-2-methoxycyclohexan-1-one
CID 11806160
4-benzyl-4-(hydroxymethyl)cyclohexan-1-one
CID 21433535
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate
CID 15541932
methyl 1-[[4-[amino(chloro)amino]phenyl]methyl]-4-chlorocyclohexa-2,4-diene-1-carboxylate
CID 152588917
3-benzyl-6-methoxycarbonyl-4H-pyridine-3-carboxylic acid
CID 175161879
methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 69106450

Frequently Asked Questions

What is the IUPAC name of methyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate?
The IUPAC name of methyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate (CID 102482847) is methyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate?
The canonical SMILES for methyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate is COC(=O)[C@]1(Cc2ccccc2)C=CC(=O)CC1.
What is the InChIKey of methyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate?
The InChIKey is RANXDELAIZSNSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16O3/c1-18-14(17)15(9-7-13(16)8-10-15)11-12-5-3-2-4-6-12/h2-7,9H,8,10-11H2,1H3/t15-/m1/s1.
What are the key properties of methyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate?
methyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-1-benzyl-4-oxocyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 102482847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).