7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one

C13H7F3N2O — CID 169095244

IUPAC7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one
SMILESCc1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2
InChIInChI=1S/C13H7F3N2O/c1-6-2-3-7-8(4-6)11(19)10-9(7)5-17-12(18-10)13(14,15)16/h2-5H,1H3
InChIKeyPDVQXWNWTNXVPC-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.02
Rot. Bonds

About 7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one

7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one (PubChem CID 169095244) has the molecular formula C13H7F3N2O and a molecular weight of 264.21 g/mol. Its IUPAC name is 7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one.

Molecular Properties

Compound Name7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one
PubChem CID169095244
Molecular FormulaC13H7F3N2O
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one
SMILESCc1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2
InChIInChI=1S/C13H7F3N2O/c1-6-2-3-7-8(4-6)11(19)10-9(7)5-17-12(18-10)13(14,15)16/h2-5H,1H3
InChIKeyPDVQXWNWTNXVPC-UHFFFAOYSA-N
XLogP3.02
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one?
The IUPAC name of 7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one (CID 169095244) is 7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one.
What is the SMILES notation for 7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one?
The canonical SMILES for 7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one is Cc1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2.
What is the InChIKey of 7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one?
The InChIKey is PDVQXWNWTNXVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O/c1-6-2-3-7-8(4-6)11(19)10-9(7)5-17-12(18-10)13(14,15)16/h2-5H,1H3.
What are the key properties of 7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one?
7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one has a molecular weight of 264.21 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one is sourced from PubChem (CID 169095244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).