(1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide

C7H12N2O — CID 126591123

IUPAC(1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCNC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C7H12N2O/c1-8-7(10)6-4-2-9-3-5(4)6/h4-6,9H,2-3H2,1H3,(H,8,10)/t4-,5+,6?
InChIKeyNRQZBLDRQCCBSJ-XEAPYIEGSA-N
MW140.19 g/mol
LogP-0.80
Rot. Bonds1

About (1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 126591123) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID126591123
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCNC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C7H12N2O/c1-8-7(10)6-4-2-9-3-5(4)6/h4-6,9H,2-3H2,1H3,(H,8,10)/t4-,5+,6?
InChIKeyNRQZBLDRQCCBSJ-XEAPYIEGSA-N
XLogP-0.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 126591123) is (1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide is CNC(=O)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is NRQZBLDRQCCBSJ-XEAPYIEGSA-N. The full InChI is InChI=1S/C7H12N2O/c1-8-7(10)6-4-2-9-3-5(4)6/h4-6,9H,2-3H2,1H3,(H,8,10)/t4-,5+,6?.
What are the key properties of (1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 140.19 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 126591123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).