1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide

C8H14N2O — CID 174984448

IUPAC1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide
SMILESCN1CCC2(C(N)=O)CC12C
InChIInChI=1S/C8H14N2O/c1-7-5-8(7,6(9)11)3-4-10(7)2/h3-5H2,1-2H3,(H2,9,11)
InChIKeyQJUAVVZWMQXWAF-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.04
Rot. Bonds1

About 1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide

1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide (PubChem CID 174984448) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide
PubChem CID174984448
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide
SMILESCN1CCC2(C(N)=O)CC12C
InChIInChI=1S/C8H14N2O/c1-7-5-8(7,6(9)11)3-4-10(7)2/h3-5H2,1-2H3,(H2,9,11)
InChIKeyQJUAVVZWMQXWAF-UHFFFAOYSA-N
XLogP-0.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide?
The IUPAC name of 1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide (CID 174984448) is 1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide.
What is the SMILES notation for 1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide?
The canonical SMILES for 1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide is CN1CCC2(C(N)=O)CC12C.
What is the InChIKey of 1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide?
The InChIKey is QJUAVVZWMQXWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7-5-8(7,6(9)11)3-4-10(7)2/h3-5H2,1-2H3,(H2,9,11).
What are the key properties of 1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide?
1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide has a molecular weight of 154.21 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide is sourced from PubChem (CID 174984448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).