5-ethenylidene-2-nitrosocyclohexa-1,3-diene

C8H7NO — CID 163571744

IUPAC5-ethenylidene-2-nitrosocyclohexa-1,3-diene
SMILESC=C=C1C=CC(N=O)=CC1
InChIInChI=1S/C8H7NO/c1-2-7-3-5-8(9-10)6-4-7/h3,5-6H,1,4H2
InChIKeyFZXXTTXBMQSGJP-UHFFFAOYSA-N
MW133.15 g/mol
LogP2.31
Rot. Bonds1

About 5-ethenylidene-2-nitrosocyclohexa-1,3-diene

5-ethenylidene-2-nitrosocyclohexa-1,3-diene (PubChem CID 163571744) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 5-ethenylidene-2-nitrosocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethenylidene-2-nitrosocyclohexa-1,3-diene
PubChem CID163571744
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name5-ethenylidene-2-nitrosocyclohexa-1,3-diene
SMILESC=C=C1C=CC(N=O)=CC1
InChIInChI=1S/C8H7NO/c1-2-7-3-5-8(9-10)6-4-7/h3,5-6H,1,4H2
InChIKeyFZXXTTXBMQSGJP-UHFFFAOYSA-N
XLogP2.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethenylidene-2-nitrosocyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethenylidene-2-nitrosocyclohexa-1,3-diene?
The IUPAC name of 5-ethenylidene-2-nitrosocyclohexa-1,3-diene (CID 163571744) is 5-ethenylidene-2-nitrosocyclohexa-1,3-diene.
What is the SMILES notation for 5-ethenylidene-2-nitrosocyclohexa-1,3-diene?
The canonical SMILES for 5-ethenylidene-2-nitrosocyclohexa-1,3-diene is C=C=C1C=CC(N=O)=CC1.
What is the InChIKey of 5-ethenylidene-2-nitrosocyclohexa-1,3-diene?
The InChIKey is FZXXTTXBMQSGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-2-7-3-5-8(9-10)6-4-7/h3,5-6H,1,4H2.
What are the key properties of 5-ethenylidene-2-nitrosocyclohexa-1,3-diene?
5-ethenylidene-2-nitrosocyclohexa-1,3-diene has a molecular weight of 133.15 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylidene-2-nitrosocyclohexa-1,3-diene is sourced from PubChem (CID 163571744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).