(3-oxoisoindol-1-ylidene)azanide

C8H5N2O- — CID 134855924

IUPAC(3-oxoisoindol-1-ylidene)azanide
SMILES[N-]=C1NC(=O)c2ccccc21
InChIInChI=1S/C8H5N2O/c9-7-5-3-1-2-4-6(5)8(11)10-7/h1-4H,(H-,9,10,11)/q-1
InChIKeyWUGLTZBHVBXQRE-UHFFFAOYSA-N
MW145.14 g/mol
LogP0.75
Rot. Bonds

About (3-oxoisoindol-1-ylidene)azanide

(3-oxoisoindol-1-ylidene)azanide (PubChem CID 134855924) has the molecular formula C8H5N2O- and a molecular weight of 145.14 g/mol. Its IUPAC name is (3-oxoisoindol-1-ylidene)azanide.

Molecular Properties

Compound Name(3-oxoisoindol-1-ylidene)azanide
PubChem CID134855924
Molecular FormulaC8H5N2O-
Molecular Weight145.14 g/mol
Exact Mass145.04
IUPAC Name(3-oxoisoindol-1-ylidene)azanide
SMILES[N-]=C1NC(=O)c2ccccc21
InChIInChI=1S/C8H5N2O/c9-7-5-3-1-2-4-6(5)8(11)10-7/h1-4H,(H-,9,10,11)/q-1
InChIKeyWUGLTZBHVBXQRE-UHFFFAOYSA-N
XLogP0.75
TPSA51.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-oxoisoindol-1-ylidene)azanide?
The IUPAC name of (3-oxoisoindol-1-ylidene)azanide (CID 134855924) is (3-oxoisoindol-1-ylidene)azanide.
What is the SMILES notation for (3-oxoisoindol-1-ylidene)azanide?
The canonical SMILES for (3-oxoisoindol-1-ylidene)azanide is [N-]=C1NC(=O)c2ccccc21.
What is the InChIKey of (3-oxoisoindol-1-ylidene)azanide?
The InChIKey is WUGLTZBHVBXQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N2O/c9-7-5-3-1-2-4-6(5)8(11)10-7/h1-4H,(H-,9,10,11)/q-1.
What are the key properties of (3-oxoisoindol-1-ylidene)azanide?
(3-oxoisoindol-1-ylidene)azanide has a molecular weight of 145.14 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxoisoindol-1-ylidene)azanide is sourced from PubChem (CID 134855924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).