methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate

C15H17NO3 — CID 11139812

IUPACmethyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate
SMILESCOC(=O)C1CCCC=C1C(=O)Nc1ccccc1
InChIInChI=1S/C15H17NO3/c1-19-15(18)13-10-6-5-9-12(13)14(17)16-11-7-3-2-4-8-11/h2-4,7-9,13H,5-6,10H2,1H3,(H,16,17)
InChIKeyKKRKKQLXAWHIAU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.52
Rot. Bonds3

About methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate

methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate (PubChem CID 11139812) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate
PubChem CID11139812
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate
SMILESCOC(=O)C1CCCC=C1C(=O)Nc1ccccc1
InChIInChI=1S/C15H17NO3/c1-19-15(18)13-10-6-5-9-12(13)14(17)16-11-7-3-2-4-8-11/h2-4,7-9,13H,5-6,10H2,1H3,(H,16,17)
InChIKeyKKRKKQLXAWHIAU-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate
CID 11065619
2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid
CID 2812907
[(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate
CID 14184691
dimethyl cyclopent-2-ene-1,2-dicarboxylate
CID 14936178
trans-methyl (1S,3S)-2-oxo-3-phenylcycloheptane-1-carboxylate
CID 129386150
methyl 2-benzhydrylidenecyclohexane-1-carboxylate
CID 131851980
2-O-methyl 1-O-(2,2,2-trichloroethyl) cyclohex-2-ene-1,2-dicarboxylate
CID 102481352
2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid
CID 67826158
(2-methylcyclohex-2-en-1-yl)-phenylmethanone
CID 24976480
methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea
CID 153341809
methyl (1E,9S)-9-benzamidocyclononene-1-carboxylate
CID 10566210
methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate
CID 108783643

Frequently Asked Questions

What is the IUPAC name of methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate?
The IUPAC name of methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate (CID 11139812) is methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate.
What is the SMILES notation for methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate?
The canonical SMILES for methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate is COC(=O)C1CCCC=C1C(=O)Nc1ccccc1.
What is the InChIKey of methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate?
The InChIKey is KKRKKQLXAWHIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-19-15(18)13-10-6-5-9-12(13)14(17)16-11-7-3-2-4-8-11/h2-4,7-9,13H,5-6,10H2,1H3,(H,16,17).
What are the key properties of methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate?
methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 11139812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).