2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one

C15H19NO2 — CID 3049522

IUPAC2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one
SMILESCc1ccc(C(C)C)c2c(=O)cc(N(C)C)oc12
InChIInChI=1S/C15H19NO2/c1-9(2)11-7-6-10(3)15-14(11)12(17)8-13(18-15)16(4)5/h6-9H,1-5H3
InChIKeyOVFZCABVDALRTG-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.29
Rot. Bonds2

About 2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one

2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one (PubChem CID 3049522) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one
PubChem CID3049522
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one
SMILESCc1ccc(C(C)C)c2c(=O)cc(N(C)C)oc12
InChIInChI=1S/C15H19NO2/c1-9(2)11-7-6-10(3)15-14(11)12(17)8-13(18-15)16(4)5/h6-9H,1-5H3
InChIKeyOVFZCABVDALRTG-UHFFFAOYSA-N
XLogP3.29
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one?
The IUPAC name of 2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one (CID 3049522) is 2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one?
The canonical SMILES for 2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one is Cc1ccc(C(C)C)c2c(=O)cc(N(C)C)oc12.
What is the InChIKey of 2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one?
The InChIKey is OVFZCABVDALRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9(2)11-7-6-10(3)15-14(11)12(17)8-13(18-15)16(4)5/h6-9H,1-5H3.
What are the key properties of 2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one?
2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one has a molecular weight of 245.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-methyl-5-propan-2-ylchromen-4-one is sourced from PubChem (CID 3049522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).