[1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate

C11H20N2O2 — CID 150239390

IUPAC[1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(CC12CCNCC1C2)OC(N)=O
InChIInChI=1S/C11H20N2O2/c1-10(2,15-9(12)14)7-11-3-4-13-6-8(11)5-11/h8,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyFXEURYBCOJVFDY-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.25
Rot. Bonds3

About [1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate

[1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate (PubChem CID 150239390) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate
PubChem CID150239390
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(CC12CCNCC1C2)OC(N)=O
InChIInChI=1S/C11H20N2O2/c1-10(2,15-9(12)14)7-11-3-4-13-6-8(11)5-11/h8,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyFXEURYBCOJVFDY-UHFFFAOYSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate (CID 150239390) is [1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate is CC(C)(CC12CCNCC1C2)OC(N)=O.
What is the InChIKey of [1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate?
The InChIKey is FXEURYBCOJVFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2,15-9(12)14)7-11-3-4-13-6-8(11)5-11/h8,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of [1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate?
[1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 150239390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).