2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide

C18H16N2O4 — CID 11947929

IUPAC2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide
SMILESNNC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C18H16N2O4/c19-20-17(21)8-13-9-18(22)24-16-10-14(6-7-15(13)16)23-11-12-4-2-1-3-5-12/h1-7,9-10H,8,11,19H2,(H,20,21)
InChIKeyPJSYGKQEHALGAK-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.90
Rot. Bonds5

About 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide

2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide (PubChem CID 11947929) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide
PubChem CID11947929
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide
SMILESNNC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C18H16N2O4/c19-20-17(21)8-13-9-18(22)24-16-10-14(6-7-15(13)16)23-11-12-4-2-1-3-5-12/h1-7,9-10H,8,11,19H2,(H,20,21)
InChIKeyPJSYGKQEHALGAK-UHFFFAOYSA-N
XLogP1.90
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide?
The IUPAC name of 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide (CID 11947929) is 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide.
What is the SMILES notation for 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide?
The canonical SMILES for 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide is NNC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide?
The InChIKey is PJSYGKQEHALGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c19-20-17(21)8-13-9-18(22)24-16-10-14(6-7-15(13)16)23-11-12-4-2-1-3-5-12/h1-7,9-10H,8,11,19H2,(H,20,21).
What are the key properties of 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide?
2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide has a molecular weight of 324.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetohydrazide is sourced from PubChem (CID 11947929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).