7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one

C17H13NO3 — CID 135888977

IUPAC7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(/N=C/c3ccccc3O)ccc12
InChIInChI=1S/C17H13NO3/c1-11-8-17(20)21-16-9-13(6-7-14(11)16)18-10-12-4-2-3-5-15(12)19/h2-10,19H,1H3/b18-10+
InChIKeyHBTSRRQZYVYNDA-VCHYOVAHSA-N
MW279.29 g/mol
LogP3.56
Rot. Bonds2

About 7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one

7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one (PubChem CID 135888977) has the molecular formula C17H13NO3 and a molecular weight of 279.29 g/mol. Its IUPAC name is 7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one
PubChem CID135888977
Molecular FormulaC17H13NO3
Molecular Weight279.29 g/mol
Exact Mass279.09
IUPAC Name7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(/N=C/c3ccccc3O)ccc12
InChIInChI=1S/C17H13NO3/c1-11-8-17(20)21-16-9-13(6-7-14(11)16)18-10-12-4-2-3-5-15(12)19/h2-10,19H,1H3/b18-10+
InChIKeyHBTSRRQZYVYNDA-VCHYOVAHSA-N
XLogP3.56
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-{[(Z)-(2,4-dioxo-2H-chromen-3(4H)-ylidene)methyl]amino}benzoate
CID 135417167
Alpha-(3-methoxyphenylimino)-O-cresol
CID 689853
(3E)-3-[(3,5-dimethylanilino)methylene]chroman-2,4-quinone
CID 135460522
3-[1-(2-Ethyl-6-methyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135472686
3-[1-(4-Isopropyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485021
3-[1-(2-Ethoxy-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485023
3-[1-(2,4-Dimethyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485029
3-{[(2,5-Dimethylphenyl)amino]methylene}benzo[b]pyran-2,4-dione
CID 135485030
3-[1-(2,5-Dimethoxy-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485031
3-[1-(3-Fluoro-4-methyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485045
2H-Chromen-2-one, 4-trifluoromethyl-7-(2-hydroxybenzylidenamino)-
CID 630507
4-(Anisylideneamino)-cinnamic acid
CID 255604

Frequently Asked Questions

What is the IUPAC name of 7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one?
The IUPAC name of 7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one (CID 135888977) is 7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one.
What is the SMILES notation for 7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one?
The canonical SMILES for 7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one is Cc1cc(=O)oc2cc(/N=C/c3ccccc3O)ccc12.
What is the InChIKey of 7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one?
The InChIKey is HBTSRRQZYVYNDA-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-8-17(20)21-16-9-13(6-7-14(11)16)18-10-12-4-2-3-5-15(12)19/h2-10,19H,1H3/b18-10+.
What are the key properties of 7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one?
7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one has a molecular weight of 279.29 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-hydroxyphenyl)methylideneamino]-4-methylchromen-2-one is sourced from PubChem (CID 135888977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).