methyl N-(1-cyclohexylprop-2-enyl)carbamate

C11H19NO2 — CID 121221949

IUPACmethyl N-(1-cyclohexylprop-2-enyl)carbamate
SMILESC=CC(NC(=O)OC)C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-3-10(12-11(13)14-2)9-7-5-4-6-8-9/h3,9-10H,1,4-8H2,2H3,(H,12,13)
InChIKeyYFJYDNMOBHALRV-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.48
Rot. Bonds3

About methyl N-(1-cyclohexylprop-2-enyl)carbamate

methyl N-(1-cyclohexylprop-2-enyl)carbamate (PubChem CID 121221949) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl N-(1-cyclohexylprop-2-enyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-cyclohexylprop-2-enyl)carbamate
PubChem CID121221949
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl N-(1-cyclohexylprop-2-enyl)carbamate
SMILESC=CC(NC(=O)OC)C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-3-10(12-11(13)14-2)9-7-5-4-6-8-9/h3,9-10H,1,4-8H2,2H3,(H,12,13)
InChIKeyYFJYDNMOBHALRV-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-cyclohexyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 67023505
dimethyl 2-[(1R)-1-cyclohexylprop-2-enyl]propanedioate
CID 102383216
methyl N-[cyano(cyclohexyl)methyl]carbamate
CID 61124825
methyl N-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]carbamate
CID 59259280
1-cyclooctylprop-2-enylhydrazine
CID 105255011
tert-butyl (Z)-4-cyclopentyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 175389662
tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate
CID 137364869
methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate
CID 161131718
methyl N-cyclohexadecylcarbamate
CID 131977131
methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate
CID 141363764
N-[(1R)-1-cycloheptylethyl]prop-2-enamide
CID 81392730
[(1S)-1-cyclohexylprop-2-enyl] acetate
CID 102474246

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-cyclohexylprop-2-enyl)carbamate?
The IUPAC name of methyl N-(1-cyclohexylprop-2-enyl)carbamate (CID 121221949) is methyl N-(1-cyclohexylprop-2-enyl)carbamate.
What is the SMILES notation for methyl N-(1-cyclohexylprop-2-enyl)carbamate?
The canonical SMILES for methyl N-(1-cyclohexylprop-2-enyl)carbamate is C=CC(NC(=O)OC)C1CCCCC1.
What is the InChIKey of methyl N-(1-cyclohexylprop-2-enyl)carbamate?
The InChIKey is YFJYDNMOBHALRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-10(12-11(13)14-2)9-7-5-4-6-8-9/h3,9-10H,1,4-8H2,2H3,(H,12,13).
What are the key properties of methyl N-(1-cyclohexylprop-2-enyl)carbamate?
methyl N-(1-cyclohexylprop-2-enyl)carbamate has a molecular weight of 197.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-cyclohexylprop-2-enyl)carbamate is sourced from PubChem (CID 121221949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).