7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one

C15H19NO2 — CID 88684463

IUPAC7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one
SMILESCC(C)Cc1cc(=O)oc2cc(N(C)C)ccc12
InChIInChI=1S/C15H19NO2/c1-10(2)7-11-8-15(17)18-14-9-12(16(3)4)5-6-13(11)14/h5-6,8-10H,7H2,1-4H3
InChIKeyDKWRYJZRUHJCKX-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.06
Rot. Bonds3

About 7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one

7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one (PubChem CID 88684463) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one
PubChem CID88684463
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one
SMILESCC(C)Cc1cc(=O)oc2cc(N(C)C)ccc12
InChIInChI=1S/C15H19NO2/c1-10(2)7-11-8-15(17)18-14-9-12(16(3)4)5-6-13(11)14/h5-6,8-10H,7H2,1-4H3
InChIKeyDKWRYJZRUHJCKX-UHFFFAOYSA-N
XLogP3.06
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.06
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-(2-methylpropyl)chromen-2-one?
The IUPAC name of 7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one (CID 88684463) is 7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one.
What is the SMILES notation for 7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one?
The canonical SMILES for 7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one is CC(C)Cc1cc(=O)oc2cc(N(C)C)ccc12.
What is the InChIKey of 7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one?
The InChIKey is DKWRYJZRUHJCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(2)7-11-8-15(17)18-14-9-12(16(3)4)5-6-13(11)14/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one?
7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one has a molecular weight of 245.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one is sourced from PubChem (CID 88684463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).