benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate

C16H21NO2 — CID 144785907

IUPACbenzyl N-[(2S)-2-ethenylcyclohexyl]carbamate
SMILESC=C[C@@H]1CCCCC1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H21NO2/c1-2-14-10-6-7-11-15(14)17-16(18)19-12-13-8-4-3-5-9-13/h2-5,8-9,14-15H,1,6-7,10-12H2,(H,17,18)/t14-,15?/m1/s1
InChIKeyUCGCSXKJVOQIFY-GICMACPYSA-N
MW259.35 g/mol
LogP3.66
Rot. Bonds4

About benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate

benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate (PubChem CID 144785907) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-ethenylcyclohexyl]carbamate
PubChem CID144785907
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Namebenzyl N-[(2S)-2-ethenylcyclohexyl]carbamate
SMILESC=C[C@@H]1CCCCC1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H21NO2/c1-2-14-10-6-7-11-15(14)17-16(18)19-12-13-8-4-3-5-9-13/h2-5,8-9,14-15H,1,6-7,10-12H2,(H,17,18)/t14-,15?/m1/s1
InChIKeyUCGCSXKJVOQIFY-GICMACPYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate 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

benzyl N-[(2S)-2-formylcyclohexyl]carbamate
CID 89323392
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 96552250
benzyl N-[(1R,2S)-2-[(2-chloroacetyl)amino]cyclohexyl]carbamate
CID 96552542
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
CID 11921385
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate (CID 144785907) is benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate is C=C[C@@H]1CCCCC1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate?
The InChIKey is UCGCSXKJVOQIFY-GICMACPYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-14-10-6-7-11-15(14)17-16(18)19-12-13-8-4-3-5-9-13/h2-5,8-9,14-15H,1,6-7,10-12H2,(H,17,18)/t14-,15?/m1/s1.
What are the key properties of benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate?
benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate has a molecular weight of 259.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate is sourced from PubChem (CID 144785907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).