(6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide

C7H12N2O — CID 142667571

IUPAC(6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide
SMILESNC(=O)[C@]12CCCCN1C2
InChIInChI=1S/C7H12N2O/c8-6(10)7-3-1-2-4-9(7)5-7/h1-5H2,(H2,8,10)/t7-,9?/m1/s1
InChIKeyRDPURFJKPHEVHG-YOXFSPIKSA-N
MW140.19 g/mol
LogP-0.29
Rot. Bonds1

About (6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide

(6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide (PubChem CID 142667571) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide
PubChem CID142667571
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide
SMILESNC(=O)[C@]12CCCCN1C2
InChIInChI=1S/C7H12N2O/c8-6(10)7-3-1-2-4-9(7)5-7/h1-5H2,(H2,8,10)/t7-,9?/m1/s1
InChIKeyRDPURFJKPHEVHG-YOXFSPIKSA-N
XLogP-0.29
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide?
The IUPAC name of (6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide (CID 142667571) is (6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide.
What is the SMILES notation for (6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide?
The canonical SMILES for (6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide is NC(=O)[C@]12CCCCN1C2.
What is the InChIKey of (6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide?
The InChIKey is RDPURFJKPHEVHG-YOXFSPIKSA-N. The full InChI is InChI=1S/C7H12N2O/c8-6(10)7-3-1-2-4-9(7)5-7/h1-5H2,(H2,8,10)/t7-,9?/m1/s1.
What are the key properties of (6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide?
(6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide has a molecular weight of 140.19 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide is sourced from PubChem (CID 142667571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).