2-(3-formylphenyl)ethenylideneazanide

C9H6NO- — CID 139243021

IUPAC2-(3-formylphenyl)ethenylideneazanide
SMILES[N-]=C=Cc1cccc(C=O)c1
InChIInChI=1S/C9H6NO/c10-5-4-8-2-1-3-9(6-8)7-11/h1-4,6-7H/q-1
InChIKeyMYJKSHWRUKLQPE-UHFFFAOYSA-N
MW144.15 g/mol
LogP1.75
Rot. Bonds2

About 2-(3-formylphenyl)ethenylideneazanide

2-(3-formylphenyl)ethenylideneazanide (PubChem CID 139243021) has the molecular formula C9H6NO- and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-(3-formylphenyl)ethenylideneazanide.

Molecular Properties

Compound Name2-(3-formylphenyl)ethenylideneazanide
PubChem CID139243021
Molecular FormulaC9H6NO-
Molecular Weight144.15 g/mol
Exact Mass144.05
IUPAC Name2-(3-formylphenyl)ethenylideneazanide
SMILES[N-]=C=Cc1cccc(C=O)c1
InChIInChI=1S/C9H6NO/c10-5-4-8-2-1-3-9(6-8)7-11/h1-4,6-7H/q-1
InChIKeyMYJKSHWRUKLQPE-UHFFFAOYSA-N
XLogP1.75
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

benzene-1,3-dicarbaldehyde;ethane
CID 91375977
benzene-1,3-dicarbaldehyde;carbon monoxide;chromium
CID 11161539
benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole)
CID 174923777
3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]benzaldehyde
CID 163197805
CID 134861589
CID 134861589
3-[dichloro-(3-formylphenyl)methyl]benzaldehyde
CID 57260352
3-ethynylbenzaldehyde
CID 2771644
[2-cyano-2-(3-formylphenyl)ethenylidene]azanide
CID 139242931
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
3-[(1Z)-buta-1,3-dienyl]benzaldehyde
CID 45083985
3-bromobenzaldehyde;hydrobromide
CID 87841856
3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
CID 59310574

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylphenyl)ethenylideneazanide?
The IUPAC name of 2-(3-formylphenyl)ethenylideneazanide (CID 139243021) is 2-(3-formylphenyl)ethenylideneazanide.
What is the SMILES notation for 2-(3-formylphenyl)ethenylideneazanide?
The canonical SMILES for 2-(3-formylphenyl)ethenylideneazanide is [N-]=C=Cc1cccc(C=O)c1.
What is the InChIKey of 2-(3-formylphenyl)ethenylideneazanide?
The InChIKey is MYJKSHWRUKLQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6NO/c10-5-4-8-2-1-3-9(6-8)7-11/h1-4,6-7H/q-1.
What are the key properties of 2-(3-formylphenyl)ethenylideneazanide?
2-(3-formylphenyl)ethenylideneazanide has a molecular weight of 144.15 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylphenyl)ethenylideneazanide is sourced from PubChem (CID 139243021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).