benzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate

C17H21NO2 — CID 66772107

IUPACbenzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate
SMILESO=C(NC1CC2C=CCC(C2)C1)OCc1ccccc1
InChIInChI=1S/C17H21NO2/c19-17(20-12-13-5-2-1-3-6-13)18-16-10-14-7-4-8-15(9-14)11-16/h1-7,14-16H,8-12H2,(H,18,19)
InChIKeyLSXXLPVPVXDXMB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.66
Rot. Bonds3

About benzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate

benzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate (PubChem CID 66772107) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is benzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate
PubChem CID66772107
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Namebenzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate
SMILESO=C(NC1CC2C=CCC(C2)C1)OCc1ccccc1
InChIInChI=1S/C17H21NO2/c19-17(20-12-13-5-2-1-3-6-13)18-16-10-14-7-4-8-15(9-14)11-16/h1-7,14-16H,8-12H2,(H,18,19)
InChIKeyLSXXLPVPVXDXMB-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.66
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-cyclopent-3-en-1-ylcarbamate
CID 10751243
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CID 122164408
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate
CID 176910998
(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-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate?
The IUPAC name of benzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate (CID 66772107) is benzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate.
What is the SMILES notation for benzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate?
The canonical SMILES for benzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate is O=C(NC1CC2C=CCC(C2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate?
The InChIKey is LSXXLPVPVXDXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(20-12-13-5-2-1-3-6-13)18-16-10-14-7-4-8-15(9-14)11-16/h1-7,14-16H,8-12H2,(H,18,19).
What are the key properties of benzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate?
benzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate has a molecular weight of 271.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate is sourced from PubChem (CID 66772107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).