2-oxochromene-3-carbohydrazide

C10H8N2O3 — CID 599722

IUPAC2-oxochromene-3-carbohydrazide
SMILESNNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C10H8N2O3/c11-12-9(13)7-5-6-3-1-2-4-8(6)15-10(7)14/h1-5H,11H2,(H,12,13)
InChIKeyCYBJAPNIFNGQQR-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.40
Rot. Bonds1

About 2-oxochromene-3-carbohydrazide

2-oxochromene-3-carbohydrazide (PubChem CID 599722) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound Name2-oxochromene-3-carbohydrazide
PubChem CID599722
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-oxochromene-3-carbohydrazide
SMILESNNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C10H8N2O3/c11-12-9(13)7-5-6-3-1-2-4-8(6)15-10(7)14/h1-5H,11H2,(H,12,13)
InChIKeyCYBJAPNIFNGQQR-UHFFFAOYSA-N
XLogP0.40
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-oxochromene-3-carbohydrazide 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 2-oxochromene-3-carbohydrazide?
The IUPAC name of 2-oxochromene-3-carbohydrazide (CID 599722) is 2-oxochromene-3-carbohydrazide.
What is the SMILES notation for 2-oxochromene-3-carbohydrazide?
The canonical SMILES for 2-oxochromene-3-carbohydrazide is NNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxochromene-3-carbohydrazide?
The InChIKey is CYBJAPNIFNGQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-12-9(13)7-5-6-3-1-2-4-8(6)15-10(7)14/h1-5H,11H2,(H,12,13).
What are the key properties of 2-oxochromene-3-carbohydrazide?
2-oxochromene-3-carbohydrazide has a molecular weight of 204.19 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 599722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).