7-(dimethylamino)-4-methylchromen-2-one

C12H13NO2 — CID 6867

IUPAC7-(dimethylamino)-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(N(C)C)ccc12
InChIInChI=1S/C12H13NO2/c1-8-6-12(14)15-11-7-9(13(2)3)4-5-10(8)11/h4-7H,1-3H3
InChIKeyGZEYLLPOQRZUDF-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.17
Rot. Bonds1

About 7-(dimethylamino)-4-methylchromen-2-one

7-(dimethylamino)-4-methylchromen-2-one (PubChem CID 6867) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-(dimethylamino)-4-methylchromen-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-4-methylchromen-2-one
PubChem CID6867
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-(dimethylamino)-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(N(C)C)ccc12
InChIInChI=1S/C12H13NO2/c1-8-6-12(14)15-11-7-9(13(2)3)4-5-10(8)11/h4-7H,1-3H3
InChIKeyGZEYLLPOQRZUDF-UHFFFAOYSA-N
XLogP2.17
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
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 7-(dimethylamino)-4-methylchromen-2-one?
The IUPAC name of 7-(dimethylamino)-4-methylchromen-2-one (CID 6867) is 7-(dimethylamino)-4-methylchromen-2-one.
What is the SMILES notation for 7-(dimethylamino)-4-methylchromen-2-one?
The canonical SMILES for 7-(dimethylamino)-4-methylchromen-2-one is Cc1cc(=O)oc2cc(N(C)C)ccc12.
What is the InChIKey of 7-(dimethylamino)-4-methylchromen-2-one?
The InChIKey is GZEYLLPOQRZUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-6-12(14)15-11-7-9(13(2)3)4-5-10(8)11/h4-7H,1-3H3.
What are the key properties of 7-(dimethylamino)-4-methylchromen-2-one?
7-(dimethylamino)-4-methylchromen-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-4-methylchromen-2-one is sourced from PubChem (CID 6867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).