benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate

C17H23NO3 — CID 68556132

IUPACbenzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate
SMILESO=C(NC1CCC2CC1CCC2O)OCc1ccccc1
InChIInChI=1S/C17H23NO3/c19-16-9-7-13-10-14(16)6-8-15(13)18-17(20)21-11-12-4-2-1-3-5-12/h1-5,13-16,19H,6-11H2,(H,18,20)
InChIKeyHRSVZDSHIRKAQH-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.85
Rot. Bonds3

About benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate

benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate (PubChem CID 68556132) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate
PubChem CID68556132
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Namebenzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate
SMILESO=C(NC1CCC2CC1CCC2O)OCc1ccccc1
InChIInChI=1S/C17H23NO3/c19-16-9-7-13-10-14(16)6-8-15(13)18-17(20)21-11-12-4-2-1-3-5-12/h1-5,13-16,19H,6-11H2,(H,18,20)
InChIKeyHRSVZDSHIRKAQH-UHFFFAOYSA-N
XLogP2.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-[2-(azetidin-3-yl)cyclobutyl]carbamate
CID 165350458
cis-methyl (1S,2R)-2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]cyclobutane-1-carboxylate
CID 101218865
benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 171422180
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822

Frequently Asked Questions

What is the IUPAC name of benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate?
The IUPAC name of benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate (CID 68556132) is benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate.
What is the SMILES notation for benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate?
The canonical SMILES for benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate is O=C(NC1CCC2CC1CCC2O)OCc1ccccc1.
What is the InChIKey of benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate?
The InChIKey is HRSVZDSHIRKAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16-9-7-13-10-14(16)6-8-15(13)18-17(20)21-11-12-4-2-1-3-5-12/h1-5,13-16,19H,6-11H2,(H,18,20).
What are the key properties of benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate?
benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate has a molecular weight of 289.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate is sourced from PubChem (CID 68556132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).