N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride

C13H16ClN2O2- — CID 129317751

IUPACN-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride
SMILESCl.O=C([O-])N(Cc1ccccc1)C12CNCC1C2
InChIInChI=1S/C13H16N2O2.ClH/c16-12(17)15(8-10-4-2-1-3-5-10)13-6-11(13)7-14-9-13;/h1-5,11,14H,6-9H2,(H,16,17);1H/p-1
InChIKeyAZTVNIURQFYOBN-UHFFFAOYSA-M
MW267.74 g/mol
LogP0.62
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride

N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride (PubChem CID 129317751) has the molecular formula C13H16ClN2O2- and a molecular weight of 267.74 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride
PubChem CID129317751
Molecular FormulaC13H16ClN2O2-
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride
SMILESCl.O=C([O-])N(Cc1ccccc1)C12CNCC1C2
InChIInChI=1S/C13H16N2O2.ClH/c16-12(17)15(8-10-4-2-1-3-5-10)13-6-11(13)7-14-9-13;/h1-5,11,14H,6-9H2,(H,16,17);1H/p-1
InChIKeyAZTVNIURQFYOBN-UHFFFAOYSA-M
XLogP0.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride (CID 129317751) is N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride is Cl.O=C([O-])N(Cc1ccccc1)C12CNCC1C2.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride?
The InChIKey is AZTVNIURQFYOBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16N2O2.ClH/c16-12(17)15(8-10-4-2-1-3-5-10)13-6-11(13)7-14-9-13;/h1-5,11,14H,6-9H2,(H,16,17);1H/p-1.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride?
N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride has a molecular weight of 267.74 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride is sourced from PubChem (CID 129317751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).