2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one

C6H7NO — CID 542901

IUPAC2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one
SMILESCN1C(=O)C2C=CC21
InChIInChI=1S/C6H7NO/c1-7-5-3-2-4(5)6(7)8/h2-5H,1H3
InChIKeyFUYSJCQQUNMNIX-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.01
Rot. Bonds

About 2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one

2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one (PubChem CID 542901) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one.

Molecular Properties

Compound Name2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one
PubChem CID542901
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one
SMILESCN1C(=O)C2C=CC21
InChIInChI=1S/C6H7NO/c1-7-5-3-2-4(5)6(7)8/h2-5H,1H3
InChIKeyFUYSJCQQUNMNIX-UHFFFAOYSA-N
XLogP0.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

rac-(1R,4S)-2-azabicyclo(2.2.0)hex-5-en-3-one
CID 55284444
5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one
CID 542874
1-Carba-1-penem
CID 70098994
5-Azabicyclo[2.2.0]hex-2-en-6-one
CID 542871
2-Ethyl-2-azabicyclo[2.2.0]hex-5-en-3-one
CID 12013022
2-(2-Methylpropyl)-2-azabicyclo[2.2.0]hex-5-en-3-one
CID 12013025
2-Butyl-2-azabicyclo[2.2.0]hex-5-en-3-one
CID 12955719
(4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one
CID 134892673
5-(2-Cyanoethyl)-6-keto-5-azabicyclo[2.2.0]hex-2-ene
CID 542921
[(1S,4R)-3-oxo-2-azabicyclo[2.2.0]hex-5-en-2-yl]methyl acetate
CID 10397167
2-Propyl-2-azabicyclo[2.2.0]hex-5-en-3-one
CID 14489644
2-(Hydroxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one
CID 15182085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one?
The IUPAC name of 2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one (CID 542901) is 2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one.
What is the SMILES notation for 2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one?
The canonical SMILES for 2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one is CN1C(=O)C2C=CC21.
What is the InChIKey of 2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one?
The InChIKey is FUYSJCQQUNMNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-7-5-3-2-4(5)6(7)8/h2-5H,1H3.
What are the key properties of 2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one?
2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one has a molecular weight of 109.13 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one is sourced from PubChem (CID 542901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).