(1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one

C6H7NO — CID 10176112

IUPAC(1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one
SMILESO=C1N[C@H]2C=CC[C@@H]12
InChIInChI=1S/C6H7NO/c8-6-4-2-1-3-5(4)7-6/h1,3-5H,2H2,(H,7,8)/t4-,5+/m1/s1
InChIKeyHGDDVGDYVZZSGO-UHNVWZDZSA-N
MW109.13 g/mol
LogP0.06
Rot. Bonds

About (1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one

(1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one (PubChem CID 10176112) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is (1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one.

Molecular Properties

Compound Name(1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one
PubChem CID10176112
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name(1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one
SMILESO=C1N[C@H]2C=CC[C@@H]12
InChIInChI=1S/C6H7NO/c8-6-4-2-1-3-5(4)7-6/h1,3-5H,2H2,(H,7,8)/t4-,5+/m1/s1
InChIKeyHGDDVGDYVZZSGO-UHNVWZDZSA-N
XLogP0.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-Azabicyclo[5.2.0]nona-3,5-dien-9-one
CID 44389745
rac-(1R,4S)-2-azabicyclo(2.2.0)hex-5-en-3-one
CID 55284444
6-Azabicyclo(3.2.0)hept-3-en-7-one
CID 6454737
(1R,6S)-7-azabicyclo[4.2.0]oct-4-en-8-one
CID 11622333
rac-(1R,6S)-7-azabicyclo[4.2.0]oct-4-en-8-one
CID 171921234
7-Azabicyclo[4.2.0]oct-4-en-8-one
CID 10197678
(1S,6R)-7-azabicyclo[4.2.0]oct-4-en-8-one
CID 11571797
(1S,5R)-6-azabicyclo[3.2.0]hept-3-en-7-one
CID 21573459
5-Azabicyclo[2.2.0]hex-2-en-6-one
CID 542871
(3R,4R)-4-ethenyl-3-methylazetidin-2-one
CID 134897774
2-Azabicyclo[3.2.0]hept-6-en-3-one
CID 14610126
6-Azabicyclo[3.2.0]hept-2-en-7-one
CID 21893333

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one?
The IUPAC name of (1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one (CID 10176112) is (1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one.
What is the SMILES notation for (1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one?
The canonical SMILES for (1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one is O=C1N[C@H]2C=CC[C@@H]12.
What is the InChIKey of (1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one?
The InChIKey is HGDDVGDYVZZSGO-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H7NO/c8-6-4-2-1-3-5(4)7-6/h1,3-5H,2H2,(H,7,8)/t4-,5+/m1/s1.
What are the key properties of (1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one?
(1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one has a molecular weight of 109.13 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-azabicyclo[3.2.0]hept-3-en-7-one is sourced from PubChem (CID 10176112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).