benzyl N-cyclopent-3-en-1-ylcarbamate

C13H15NO2 — CID 10751243

IUPACbenzyl N-cyclopent-3-en-1-ylcarbamate
SMILESO=C(NC1CC=CC1)OCc1ccccc1
InChIInChI=1S/C13H15NO2/c15-13(14-12-8-4-5-9-12)16-10-11-6-2-1-3-7-11/h1-7,12H,8-10H2,(H,14,15)
InChIKeyJQEIWHSWQGAKJA-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.63
Rot. Bonds3

About benzyl N-cyclopent-3-en-1-ylcarbamate

benzyl N-cyclopent-3-en-1-ylcarbamate (PubChem CID 10751243) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is benzyl N-cyclopent-3-en-1-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-cyclopent-3-en-1-ylcarbamate
PubChem CID10751243
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namebenzyl N-cyclopent-3-en-1-ylcarbamate
SMILESO=C(NC1CC=CC1)OCc1ccccc1
InChIInChI=1S/C13H15NO2/c15-13(14-12-8-4-5-9-12)16-10-11-6-2-1-3-7-11/h1-7,12H,8-10H2,(H,14,15)
InChIKeyJQEIWHSWQGAKJA-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.63
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-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
(1S,6S)-6-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
CID 7157276
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
methyl (1S)-6-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylate
CID 54162931

Frequently Asked Questions

What is the IUPAC name of benzyl N-cyclopent-3-en-1-ylcarbamate?
The IUPAC name of benzyl N-cyclopent-3-en-1-ylcarbamate (CID 10751243) is benzyl N-cyclopent-3-en-1-ylcarbamate.
What is the SMILES notation for benzyl N-cyclopent-3-en-1-ylcarbamate?
The canonical SMILES for benzyl N-cyclopent-3-en-1-ylcarbamate is O=C(NC1CC=CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-cyclopent-3-en-1-ylcarbamate?
The InChIKey is JQEIWHSWQGAKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(14-12-8-4-5-9-12)16-10-11-6-2-1-3-7-11/h1-7,12H,8-10H2,(H,14,15).
What are the key properties of benzyl N-cyclopent-3-en-1-ylcarbamate?
benzyl N-cyclopent-3-en-1-ylcarbamate has a molecular weight of 217.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-cyclopent-3-en-1-ylcarbamate is sourced from PubChem (CID 10751243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).