4-(2-methylanilino)chromen-2-one

C16H13NO2 — CID 848620

IUPAC4-(2-methylanilino)chromen-2-one
SMILESCc1ccccc1Nc1cc(=O)oc2ccccc12
InChIInChI=1S/C16H13NO2/c1-11-6-2-4-8-13(11)17-14-10-16(18)19-15-9-5-3-7-12(14)15/h2-10,17H,1H3
InChIKeyGKBOZRCTVKHCJW-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.85
Rot. Bonds2

About 4-(2-methylanilino)chromen-2-one

4-(2-methylanilino)chromen-2-one (PubChem CID 848620) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(2-methylanilino)chromen-2-one.

Molecular Properties

Compound Name4-(2-methylanilino)chromen-2-one
PubChem CID848620
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name4-(2-methylanilino)chromen-2-one
SMILESCc1ccccc1Nc1cc(=O)oc2ccccc12
InChIInChI=1S/C16H13NO2/c1-11-6-2-4-8-13(11)17-14-10-16(18)19-15-9-5-3-7-12(14)15/h2-10,17H,1H3
InChIKeyGKBOZRCTVKHCJW-UHFFFAOYSA-N
XLogP3.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)chromen-2-one?
The IUPAC name of 4-(2-methylanilino)chromen-2-one (CID 848620) is 4-(2-methylanilino)chromen-2-one.
What is the SMILES notation for 4-(2-methylanilino)chromen-2-one?
The canonical SMILES for 4-(2-methylanilino)chromen-2-one is Cc1ccccc1Nc1cc(=O)oc2ccccc12.
What is the InChIKey of 4-(2-methylanilino)chromen-2-one?
The InChIKey is GKBOZRCTVKHCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11-6-2-4-8-13(11)17-14-10-16(18)19-15-9-5-3-7-12(14)15/h2-10,17H,1H3.
What are the key properties of 4-(2-methylanilino)chromen-2-one?
4-(2-methylanilino)chromen-2-one has a molecular weight of 251.29 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)chromen-2-one is sourced from PubChem (CID 848620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).