N-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide

C10H16N2O — CID 164655179

IUPACN-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
SMILESCN(C(=O)C12CC(CN1)C2)C1CC1
InChIInChI=1S/C10H16N2O/c1-12(8-2-3-8)9(13)10-4-7(5-10)6-11-10/h7-8,11H,2-6H2,1H3
InChIKeyLSIDLWDVNJSLOD-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.36
Rot. Bonds2

About N-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide

N-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide (PubChem CID 164655179) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
PubChem CID164655179
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
SMILESCN(C(=O)C12CC(CN1)C2)C1CC1
InChIInChI=1S/C10H16N2O/c1-12(8-2-3-8)9(13)10-4-7(5-10)6-11-10/h7-8,11H,2-6H2,1H3
InChIKeyLSIDLWDVNJSLOD-UHFFFAOYSA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide (CID 164655179) is N-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide is CN(C(=O)C12CC(CN1)C2)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The InChIKey is LSIDLWDVNJSLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(8-2-3-8)9(13)10-4-7(5-10)6-11-10/h7-8,11H,2-6H2,1H3.
What are the key properties of N-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide?
N-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide is sourced from PubChem (CID 164655179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).