N'-benzoyl-2-oxochromene-3-carbohydrazide

C17H12N2O4 — CID 569534

IUPACN'-benzoyl-2-oxochromene-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C17H12N2O4/c20-15(11-6-2-1-3-7-11)18-19-16(21)13-10-12-8-4-5-9-14(12)23-17(13)22/h1-10H,(H,18,20)(H,19,21)
InChIKeyKYAFFXZDEXPSNK-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.87
Rot. Bonds2

About N'-benzoyl-2-oxochromene-3-carbohydrazide

N'-benzoyl-2-oxochromene-3-carbohydrazide (PubChem CID 569534) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is N'-benzoyl-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2-oxochromene-3-carbohydrazide
PubChem CID569534
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC NameN'-benzoyl-2-oxochromene-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C17H12N2O4/c20-15(11-6-2-1-3-7-11)18-19-16(21)13-10-12-8-4-5-9-14(12)23-17(13)22/h1-10H,(H,18,20)(H,19,21)
InChIKeyKYAFFXZDEXPSNK-UHFFFAOYSA-N
XLogP1.87
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-2-oxochromene-3-carbohydrazide?
The IUPAC name of N'-benzoyl-2-oxochromene-3-carbohydrazide (CID 569534) is N'-benzoyl-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for N'-benzoyl-2-oxochromene-3-carbohydrazide?
The canonical SMILES for N'-benzoyl-2-oxochromene-3-carbohydrazide is O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-2-oxochromene-3-carbohydrazide?
The InChIKey is KYAFFXZDEXPSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-15(11-6-2-1-3-7-11)18-19-16(21)13-10-12-8-4-5-9-14(12)23-17(13)22/h1-10H,(H,18,20)(H,19,21).
What are the key properties of N'-benzoyl-2-oxochromene-3-carbohydrazide?
N'-benzoyl-2-oxochromene-3-carbohydrazide has a molecular weight of 308.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 569534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).