1-azabicyclo[3.2.0]hept-2-en-7-one

C12H14N2O2 — CID 161141811

IUPAC1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESO=C1CC2CC=CN12.O=C1CC2CC=CN12
InChIInChI=1S/2C6H7NO/c2*8-6-4-5-2-1-3-7(5)6/h2*1,3,5H,2,4H2
InChIKeyUNNSWXAKEAUNNP-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.01
Rot. Bonds

About 1-azabicyclo[3.2.0]hept-2-en-7-one

1-azabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 161141811) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-azabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name1-azabicyclo[3.2.0]hept-2-en-7-one
PubChem CID161141811
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESO=C1CC2CC=CN12.O=C1CC2CC=CN12
InChIInChI=1S/2C6H7NO/c2*8-6-4-5-2-1-3-7(5)6/h2*1,3,5H,2,4H2
InChIKeyUNNSWXAKEAUNNP-UHFFFAOYSA-N
XLogP1.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carbapenem antibacterials
CID 13293131
1-Azabicyclo[3.2.0]hept-2-en-7-one
CID 13293130
(5S)-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 18641418
Carbapenem hydrochloride
CID 131725880
1-Azabicyclo[3.2.0]hept-2-en-7-one;hydron
CID 138680339
(5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrate
CID 140015584
(5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;trihydrate
CID 140499878
(5R)-1-azabicyclo[3.2.0]hept-2-en-7-one;hydrate;hydrochloride
CID 141587554
Calcium;1-azabicyclo[3.2.0]hept-2-en-7-one;hydride
CID 174984961

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of 1-azabicyclo[3.2.0]hept-2-en-7-one (CID 161141811) is 1-azabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for 1-azabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for 1-azabicyclo[3.2.0]hept-2-en-7-one is O=C1CC2CC=CN12.O=C1CC2CC=CN12.
What is the InChIKey of 1-azabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is UNNSWXAKEAUNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7NO/c2*8-6-4-5-2-1-3-7(5)6/h2*1,3,5H,2,4H2.
What are the key properties of 1-azabicyclo[3.2.0]hept-2-en-7-one?
1-azabicyclo[3.2.0]hept-2-en-7-one has a molecular weight of 218.26 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 161141811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).