7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

C19H15NO4 — CID 136966266

IUPAC7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESO=c1oc2cc(/N=C/c3ccc(O)cc3O)ccc2c2c1CCC2
InChIInChI=1S/C19H15NO4/c21-13-6-4-11(17(22)9-13)10-20-12-5-7-15-14-2-1-3-16(14)19(23)24-18(15)8-12/h4-10,21-22H,1-3H2/b20-10+
InChIKeyCDVYYTNUPRMDNC-KEBDBYFISA-N
MW321.33 g/mol
LogP3.44
Rot. Bonds2

About 7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (PubChem CID 136966266) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.

Molecular Properties

Compound Name7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
PubChem CID136966266
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESO=c1oc2cc(/N=C/c3ccc(O)cc3O)ccc2c2c1CCC2
InChIInChI=1S/C19H15NO4/c21-13-6-4-11(17(22)9-13)10-20-12-5-7-15-14-2-1-3-16(14)19(23)24-18(15)8-12/h4-10,21-22H,1-3H2/b20-10+
InChIKeyCDVYYTNUPRMDNC-KEBDBYFISA-N
XLogP3.44
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one 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 7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The IUPAC name of 7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CID 136966266) is 7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
What is the SMILES notation for 7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The canonical SMILES for 7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is O=c1oc2cc(/N=C/c3ccc(O)cc3O)ccc2c2c1CCC2.
What is the InChIKey of 7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The InChIKey is CDVYYTNUPRMDNC-KEBDBYFISA-N. The full InChI is InChI=1S/C19H15NO4/c21-13-6-4-11(17(22)9-13)10-20-12-5-7-15-14-2-1-3-16(14)19(23)24-18(15)8-12/h4-10,21-22H,1-3H2/b20-10+.
What are the key properties of 7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one has a molecular weight of 321.33 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dihydroxyphenyl)methylideneamino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is sourced from PubChem (CID 136966266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).