(4-formylcyclohexa-2,4-dien-1-ylidene)azanide

C7H5NO — CID 101133419

IUPAC(4-formylcyclohexa-2,4-dien-1-ylidene)azanide
SMILES[N-]=C1C=CC(C=O)=C[CH+]1
InChIInChI=1S/C7H5NO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKeyLHROOCCIEDJYNE-UHFFFAOYSA-N
MW119.12 g/mol
LogP0.90
Rot. Bonds1

About (4-formylcyclohexa-2,4-dien-1-ylidene)azanide

(4-formylcyclohexa-2,4-dien-1-ylidene)azanide (PubChem CID 101133419) has the molecular formula C7H5NO and a molecular weight of 119.12 g/mol. Its IUPAC name is (4-formylcyclohexa-2,4-dien-1-ylidene)azanide.

Molecular Properties

Compound Name(4-formylcyclohexa-2,4-dien-1-ylidene)azanide
PubChem CID101133419
Molecular FormulaC7H5NO
Molecular Weight119.12 g/mol
Exact Mass119.04
IUPAC Name(4-formylcyclohexa-2,4-dien-1-ylidene)azanide
SMILES[N-]=C1C=CC(C=O)=C[CH+]1
InChIInChI=1S/C7H5NO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKeyLHROOCCIEDJYNE-UHFFFAOYSA-N
XLogP0.90
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Diazocyclopenta-1,4-diene-1-carbaldehyde
CID 54108222
3-Imino-4-oxocyclohexa-1,5-diene-1-carbaldehyde
CID 89387721
(3-Formyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanium
CID 134860494
CID 139243760
CID 139243760
6-Diazocyclohexa-1,3-diene-1-carbaldehyde
CID 21977809
6-Iminocyclohexa-1,3-diene-1-carbaldehyde
CID 22919033
4-Diazocyclohexa-1,5-diene-1-carbaldehyde
CID 53665800
5-Diazocyclohexa-1,3-diene-1-carbaldehyde
CID 53946793
3-Imino-4-oxocyclohexa-1,5-diene-1-carbaldehyde;iron
CID 89387762
5,6-Diiminocyclohexa-1,3-diene-1-carbaldehyde
CID 89745851
3-(4-Ethyliminocyclohexa-1,5-dien-1-yl)prop-2-enal
CID 91243948
6-Hydroxyiminocyclohexa-1,3-diene-1-carbaldehyde
CID 130364401

Frequently Asked Questions

What is the IUPAC name of (4-formylcyclohexa-2,4-dien-1-ylidene)azanide?
The IUPAC name of (4-formylcyclohexa-2,4-dien-1-ylidene)azanide (CID 101133419) is (4-formylcyclohexa-2,4-dien-1-ylidene)azanide.
What is the SMILES notation for (4-formylcyclohexa-2,4-dien-1-ylidene)azanide?
The canonical SMILES for (4-formylcyclohexa-2,4-dien-1-ylidene)azanide is [N-]=C1C=CC(C=O)=C[CH+]1.
What is the InChIKey of (4-formylcyclohexa-2,4-dien-1-ylidene)azanide?
The InChIKey is LHROOCCIEDJYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO/c8-7-3-1-6(5-9)2-4-7/h1-5H.
What are the key properties of (4-formylcyclohexa-2,4-dien-1-ylidene)azanide?
(4-formylcyclohexa-2,4-dien-1-ylidene)azanide has a molecular weight of 119.12 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylcyclohexa-2,4-dien-1-ylidene)azanide is sourced from PubChem (CID 101133419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).