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

C16H19NO3 — CID 11065619

IUPACmethyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate
SMILESCOC(=O)C1CCCC=C1C(=O)NCc1ccccc1
InChIInChI=1S/C16H19NO3/c1-20-16(19)14-10-6-5-9-13(14)15(18)17-11-12-7-3-2-4-8-12/h2-4,7-9,14H,5-6,10-11H2,1H3,(H,17,18)
InChIKeyCCHNUHPWXGEWFR-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.20
Rot. Bonds4

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

methyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate (PubChem CID 11065619) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate
PubChem CID11065619
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate
SMILESCOC(=O)C1CCCC=C1C(=O)NCc1ccccc1
InChIInChI=1S/C16H19NO3/c1-20-16(19)14-10-6-5-9-13(14)15(18)17-11-12-7-3-2-4-8-12/h2-4,7-9,14H,5-6,10-11H2,1H3,(H,17,18)
InChIKeyCCHNUHPWXGEWFR-UHFFFAOYSA-N
XLogP2.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate
CID 11139812
(6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide
CID 102471131
2-[(2-methoxycarbonylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid
CID 2812907
lithium 2-[[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]methylcarbamoyl]cyclopent-2-ene-1-carboxylate
CID 23698505
trans-methyl (1S,3S)-2-oxo-3-phenylcycloheptane-1-carboxylate
CID 129386150
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
N-benzylcyclohex-2-ene-1-carboxamide
CID 134888481
methyl 2-(benzylamino)cyclohexane-1-carboxylate
CID 171324800
dimethyl cyclopent-2-ene-1,2-dicarboxylate
CID 14936178
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 40740388

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate?
The IUPAC name of methyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate (CID 11065619) is methyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate.
What is the SMILES notation for methyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate?
The canonical SMILES for methyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate is COC(=O)C1CCCC=C1C(=O)NCc1ccccc1.
What is the InChIKey of methyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate?
The InChIKey is CCHNUHPWXGEWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-16(19)14-10-6-5-9-13(14)15(18)17-11-12-7-3-2-4-8-12/h2-4,7-9,14H,5-6,10-11H2,1H3,(H,17,18).
What are the key properties of methyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate?
methyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 11065619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).