5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one

C11H11F3N2O — CID 163581377

IUPAC5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one
SMILESCC1=C2C=C(C(F)(F)F)C=CN2C(=O)NCC1
InChIInChI=1S/C11H11F3N2O/c1-7-2-4-15-10(17)16-5-3-8(6-9(7)16)11(12,13)14/h3,5-6H,2,4H2,1H3,(H,15,17)
InChIKeyGHUUQFRCMJUREG-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.69
Rot. Bonds

About 5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one

5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one (PubChem CID 163581377) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one.

Molecular Properties

Compound Name5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one
PubChem CID163581377
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one
SMILESCC1=C2C=C(C(F)(F)F)C=CN2C(=O)NCC1
InChIInChI=1S/C11H11F3N2O/c1-7-2-4-15-10(17)16-5-3-8(6-9(7)16)11(12,13)14/h3,5-6H,2,4H2,1H3,(H,15,17)
InChIKeyGHUUQFRCMJUREG-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one?
The IUPAC name of 5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one (CID 163581377) is 5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one.
What is the SMILES notation for 5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one?
The canonical SMILES for 5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one is CC1=C2C=C(C(F)(F)F)C=CN2C(=O)NCC1.
What is the InChIKey of 5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one?
The InChIKey is GHUUQFRCMJUREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-7-2-4-15-10(17)16-5-3-8(6-9(7)16)11(12,13)14/h3,5-6H,2,4H2,1H3,(H,15,17).
What are the key properties of 5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one?
5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one has a molecular weight of 244.22 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-c][1,3]diazepin-1-one is sourced from PubChem (CID 163581377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).