benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate

C14H18N2O2 — CID 117045632

IUPACbenzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
SMILESO=C(NC12CCNCC1C2)OCc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-13(18-10-11-4-2-1-3-5-11)16-14-6-7-15-9-12(14)8-14/h1-5,12,15H,6-10H2,(H,16,17)
InChIKeyYRLZLFCUGUUHEY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.66
Rot. Bonds3

About benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate

benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate (PubChem CID 117045632) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
PubChem CID117045632
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namebenzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
SMILESO=C(NC12CCNCC1C2)OCc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-13(18-10-11-4-2-1-3-5-11)16-14-6-7-15-9-12(14)8-14/h1-5,12,15H,6-10H2,(H,16,17)
InChIKeyYRLZLFCUGUUHEY-UHFFFAOYSA-N
XLogP1.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride
CID 134819032
benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate
CID 124671693
benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate
CID 171107393
benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate
CID 53216887
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
benzyl N-[(3R)-3-methylazepan-3-yl]carbamate
CID 175203765
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
benzyl N-[1-[(3-hydroxypiperidin-4-yl)carbamoyl]cyclohexyl]carbamate;hydrochloride
CID 69314997
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
2,3-dimethyl-1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 131162341
benzyl N-[3-(1,1-difluoro-2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 70796514
tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
CID 59776920

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate?
The IUPAC name of benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate (CID 117045632) is benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate.
What is the SMILES notation for benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate?
The canonical SMILES for benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate is O=C(NC12CCNCC1C2)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate?
The InChIKey is YRLZLFCUGUUHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13(18-10-11-4-2-1-3-5-11)16-14-6-7-15-9-12(14)8-14/h1-5,12,15H,6-10H2,(H,16,17).
What are the key properties of benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate?
benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate has a molecular weight of 246.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate is sourced from PubChem (CID 117045632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).