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

C6H8NO+ — CID 138680339

IUPAC1-azabicyclo[3.2.0]hept-2-en-7-one;hydron
SMILESO=C1CC2CC=CN12.[H+]
InChIInChI=1S/C6H7NO/c8-6-4-5-2-1-3-7(5)6/h1,3,5H,2,4H2/p+1
InChIKeyYZBQHRLRFGPBSL-UHFFFAOYSA-O
MW110.14 g/mol
LogP0.62
Rot. Bonds

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

1-azabicyclo[3.2.0]hept-2-en-7-one;hydron (PubChem CID 138680339) has the molecular formula C6H8NO+ and a molecular weight of 110.14 g/mol. Its IUPAC name is 1-azabicyclo[3.2.0]hept-2-en-7-one;hydron.

Molecular Properties

Compound Name1-azabicyclo[3.2.0]hept-2-en-7-one;hydron
PubChem CID138680339
Molecular FormulaC6H8NO+
Molecular Weight110.14 g/mol
Exact Mass110.06
IUPAC Name1-azabicyclo[3.2.0]hept-2-en-7-one;hydron
SMILESO=C1CC2CC=CN12.[H+]
InChIInChI=1S/C6H7NO/c8-6-4-5-2-1-3-7(5)6/h1,3,5H,2,4H2/p+1
InChIKeyYZBQHRLRFGPBSL-UHFFFAOYSA-O
XLogP0.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.14
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.0]hept-2-en-7-one;hydron?
The IUPAC name of 1-azabicyclo[3.2.0]hept-2-en-7-one;hydron (CID 138680339) is 1-azabicyclo[3.2.0]hept-2-en-7-one;hydron.
What is the SMILES notation for 1-azabicyclo[3.2.0]hept-2-en-7-one;hydron?
The canonical SMILES for 1-azabicyclo[3.2.0]hept-2-en-7-one;hydron is O=C1CC2CC=CN12.[H+].
What is the InChIKey of 1-azabicyclo[3.2.0]hept-2-en-7-one;hydron?
The InChIKey is YZBQHRLRFGPBSL-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7NO/c8-6-4-5-2-1-3-7(5)6/h1,3,5H,2,4H2/p+1.
What are the key properties of 1-azabicyclo[3.2.0]hept-2-en-7-one;hydron?
1-azabicyclo[3.2.0]hept-2-en-7-one;hydron has a molecular weight of 110.14 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.0]hept-2-en-7-one;hydron is sourced from PubChem (CID 138680339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).