6-[(4-methoxyphenyl)methylideneamino]chromen-2-one

C17H13NO3 — CID 4551826

IUPAC6-[(4-methoxyphenyl)methylideneamino]chromen-2-one
SMILESCOc1ccc(/C=N/c2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C17H13NO3/c1-20-15-6-2-12(3-7-15)11-18-14-5-8-16-13(10-14)4-9-17(19)21-16/h2-11H,1H3/b18-11+
InChIKeyMPZOWFXNJLLYIO-WOJGMQOQSA-N
MW279.30 g/mol
LogP3.55
Rot. Bonds3

About 6-[(4-methoxyphenyl)methylideneamino]chromen-2-one

6-[(4-methoxyphenyl)methylideneamino]chromen-2-one (PubChem CID 4551826) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylideneamino]chromen-2-one.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylideneamino]chromen-2-one
PubChem CID4551826
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name6-[(4-methoxyphenyl)methylideneamino]chromen-2-one
SMILESCOc1ccc(/C=N/c2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C17H13NO3/c1-20-15-6-2-12(3-7-15)11-18-14-5-8-16-13(10-14)4-9-17(19)21-16/h2-11H,1H3/b18-11+
InChIKeyMPZOWFXNJLLYIO-WOJGMQOQSA-N
XLogP3.55
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylideneamino]chromen-2-one?
The IUPAC name of 6-[(4-methoxyphenyl)methylideneamino]chromen-2-one (CID 4551826) is 6-[(4-methoxyphenyl)methylideneamino]chromen-2-one.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylideneamino]chromen-2-one?
The canonical SMILES for 6-[(4-methoxyphenyl)methylideneamino]chromen-2-one is COc1ccc(/C=N/c2ccc3oc(=O)ccc3c2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylideneamino]chromen-2-one?
The InChIKey is MPZOWFXNJLLYIO-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H13NO3/c1-20-15-6-2-12(3-7-15)11-18-14-5-8-16-13(10-14)4-9-17(19)21-16/h2-11H,1H3/b18-11+.
What are the key properties of 6-[(4-methoxyphenyl)methylideneamino]chromen-2-one?
6-[(4-methoxyphenyl)methylideneamino]chromen-2-one has a molecular weight of 279.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methylideneamino]chromen-2-one is sourced from PubChem (CID 4551826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).