6-methyl-7-(prop-2-enylamino)chromen-2-one

C13H13NO2 — CID 56933756

IUPAC6-methyl-7-(prop-2-enylamino)chromen-2-one
SMILESC=CCNc1cc2oc(=O)ccc2cc1C
InChIInChI=1S/C13H13NO2/c1-3-6-14-11-8-12-10(7-9(11)2)4-5-13(15)16-12/h3-5,7-8,14H,1,6H2,2H3
InChIKeyPATJBJFIWDTZQV-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.70
Rot. Bonds3

About 6-methyl-7-(prop-2-enylamino)chromen-2-one

6-methyl-7-(prop-2-enylamino)chromen-2-one (PubChem CID 56933756) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6-methyl-7-(prop-2-enylamino)chromen-2-one.

Molecular Properties

Compound Name6-methyl-7-(prop-2-enylamino)chromen-2-one
PubChem CID56933756
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name6-methyl-7-(prop-2-enylamino)chromen-2-one
SMILESC=CCNc1cc2oc(=O)ccc2cc1C
InChIInChI=1S/C13H13NO2/c1-3-6-14-11-8-12-10(7-9(11)2)4-5-13(15)16-12/h3-5,7-8,14H,1,6H2,2H3
InChIKeyPATJBJFIWDTZQV-UHFFFAOYSA-N
XLogP2.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(prop-2-enylamino)chromen-2-one?
The IUPAC name of 6-methyl-7-(prop-2-enylamino)chromen-2-one (CID 56933756) is 6-methyl-7-(prop-2-enylamino)chromen-2-one.
What is the SMILES notation for 6-methyl-7-(prop-2-enylamino)chromen-2-one?
The canonical SMILES for 6-methyl-7-(prop-2-enylamino)chromen-2-one is C=CCNc1cc2oc(=O)ccc2cc1C.
What is the InChIKey of 6-methyl-7-(prop-2-enylamino)chromen-2-one?
The InChIKey is PATJBJFIWDTZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-3-6-14-11-8-12-10(7-9(11)2)4-5-13(15)16-12/h3-5,7-8,14H,1,6H2,2H3.
What are the key properties of 6-methyl-7-(prop-2-enylamino)chromen-2-one?
6-methyl-7-(prop-2-enylamino)chromen-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(prop-2-enylamino)chromen-2-one is sourced from PubChem (CID 56933756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).