(1S,5R)-3-azabicyclo[3.1.0]hexan-2-one

C5H7NO — CID 10103122

IUPAC(1S,5R)-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1NC[C@@H]2C[C@H]12
InChIInChI=1S/C5H7NO/c7-5-4-1-3(4)2-6-5/h3-4H,1-2H2,(H,6,7)/t3-,4-/m0/s1
InChIKeyKHLMVJUFZYQPEP-IMJSIDKUSA-N
MW97.12 g/mol
LogP-0.25
Rot. Bonds

About (1S,5R)-3-azabicyclo[3.1.0]hexan-2-one

(1S,5R)-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 10103122) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is (1S,5R)-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5R)-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID10103122
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name(1S,5R)-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1NC[C@@H]2C[C@H]12
InChIInChI=1S/C5H7NO/c7-5-4-1-3(4)2-6-5/h3-4H,1-2H2,(H,6,7)/t3-,4-/m0/s1
InChIKeyKHLMVJUFZYQPEP-IMJSIDKUSA-N
XLogP-0.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 45092473
6,6-Difluoro-3-azabicyclo(3.1.0)hexan-2-one
CID 25072955
(1R,5S,6R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide hydrochloride
CID 130745668
rac-(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 95734093
rac-(1R,5S,6R)-3-azabicyclo(3.1.0)hexane-6-carboxamide hydrochloride
CID 130737036
3-Azabicyclo[3.1.0]hexan-2-one
CID 14843146
3-Azabicyclo[3.1.0]hexane-6-carboxamide
CID 66713019
2-Azabicyclo[3.1.0]hexan-3-one
CID 68764493
(1r,5s,6r)-3-Azabicyclo[3.1.0]hexane-6-carboxamide
CID 55284419
(1R,5S,6R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 126591123
(1R,5S)-3-Azabicyclo[3.1.0]hexan-2-one
CID 10057447
1-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 130023721

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5R)-3-azabicyclo[3.1.0]hexan-2-one (CID 10103122) is (1S,5R)-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5R)-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5R)-3-azabicyclo[3.1.0]hexan-2-one is O=C1NC[C@@H]2C[C@H]12.
What is the InChIKey of (1S,5R)-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is KHLMVJUFZYQPEP-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H7NO/c7-5-4-1-3(4)2-6-5/h3-4H,1-2H2,(H,6,7)/t3-,4-/m0/s1.
What are the key properties of (1S,5R)-3-azabicyclo[3.1.0]hexan-2-one?
(1S,5R)-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 97.12 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 10103122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).