benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate

C14H18N2O2 — CID 117045629

IUPACbenzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
SMILESO=C(NC1C2CCNCC21)OCc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-14(18-9-10-4-2-1-3-5-10)16-13-11-6-7-15-8-12(11)13/h1-5,11-13,15H,6-9H2,(H,16,17)
InChIKeyIWHXGDVWOVIBFB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.52
Rot. Bonds3

About benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate

benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate (PubChem CID 117045629) 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-7-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
PubChem CID117045629
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namebenzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
SMILESO=C(NC1C2CCNCC21)OCc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-14(18-9-10-4-2-1-3-5-10)16-13-11-6-7-15-8-12(11)13/h1-5,11-13,15H,6-9H2,(H,16,17)
InChIKeyIWHXGDVWOVIBFB-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
CID 118048951
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
benzyl N-[2-(azetidin-3-yl)cyclobutyl]carbamate
CID 165350458
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
phenylmethoxycarbonylamino pyrrolidine-3-carboxylate
CID 175425879
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 86648783
benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate
CID 122156999
benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate
CID 164556146
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate
CID 174789732
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate?
The IUPAC name of benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate (CID 117045629) is benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate.
What is the SMILES notation for benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate?
The canonical SMILES for benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate is O=C(NC1C2CCNCC21)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate?
The InChIKey is IWHXGDVWOVIBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(18-9-10-4-2-1-3-5-10)16-13-11-6-7-15-8-12(11)13/h1-5,11-13,15H,6-9H2,(H,16,17).
What are the key properties of benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate?
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate has a molecular weight of 246.31 g/mol, XLogP of 1.52, 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-7-yl)carbamate is sourced from PubChem (CID 117045629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).