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

C5H7NO — CID 10057447

IUPAC(1R,5S)-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-/m1/s1
InChIKeyKHLMVJUFZYQPEP-QWWZWVQMSA-N
MW97.12 g/mol
LogP-0.25
Rot. Bonds

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

(1R,5S)-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 10057447) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is (1R,5S)-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,5S)-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID10057447
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name(1R,5S)-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-/m1/s1
InChIKeyKHLMVJUFZYQPEP-QWWZWVQMSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,5S)-3-azabicyclo[3.1.0]hexan-2-one (CID 10057447) is (1R,5S)-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,5S)-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,5S)-3-azabicyclo[3.1.0]hexan-2-one is O=C1NC[C@H]2C[C@@H]12.
What is the InChIKey of (1R,5S)-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is KHLMVJUFZYQPEP-QWWZWVQMSA-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-/m1/s1.
What are the key properties of (1R,5S)-3-azabicyclo[3.1.0]hexan-2-one?
(1R,5S)-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 (1R,5S)-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 10057447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).