benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate

C14H17NO2 — CID 129365778

IUPACbenzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate
SMILESO=C(N[C@@H]1C=CCCC1)OCc1ccccc1
InChIInChI=1S/C14H17NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1,3-5,7-9,13H,2,6,10-11H2,(H,15,16)/t13-/m1/s1
InChIKeyBFBDOBJZUPOVMQ-CYBMUJFWSA-N
MW231.30 g/mol
LogP3.02
Rot. Bonds3

About benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate

benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate (PubChem CID 129365778) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate
PubChem CID129365778
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Namebenzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate
SMILESO=C(N[C@@H]1C=CCCC1)OCc1ccccc1
InChIInChI=1S/C14H17NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1,3-5,7-9,13H,2,6,10-11H2,(H,15,16)/t13-/m1/s1
InChIKeyBFBDOBJZUPOVMQ-CYBMUJFWSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.02
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

benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
(1S,5S)-5-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
CID 167725622
(1R,5S)-5-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
CID 165466319
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate
CID 86086396
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
CID 11921385

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate?
The IUPAC name of benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate (CID 129365778) is benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate?
The canonical SMILES for benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate is O=C(N[C@@H]1C=CCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate?
The InChIKey is BFBDOBJZUPOVMQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1,3-5,7-9,13H,2,6,10-11H2,(H,15,16)/t13-/m1/s1.
What are the key properties of benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate?
benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate has a molecular weight of 231.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate is sourced from PubChem (CID 129365778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).