1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C19H21F3N2O3 — CID 4878955

IUPAC1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1CC1CCCO1
InChIInChI=1S/C19H21F3N2O3/c1-12-8-16(13(2)24(12)10-15-4-3-7-27-15)17(25)11-23-9-14(19(20,21)22)5-6-18(23)26/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3
InChIKeyNUJNXXNRWJMXRJ-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.35
Rot. Bonds5

About 1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 4878955) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID4878955
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1CC1CCCO1
InChIInChI=1S/C19H21F3N2O3/c1-12-8-16(13(2)24(12)10-15-4-3-7-27-15)17(25)11-23-9-14(19(20,21)22)5-6-18(23)26/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3
InChIKeyNUJNXXNRWJMXRJ-UHFFFAOYSA-N
XLogP3.35
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 4878955) is 1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1CC1CCCO1.
What is the InChIKey of 1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is NUJNXXNRWJMXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-12-8-16(13(2)24(12)10-15-4-3-7-27-15)17(25)11-23-9-14(19(20,21)22)5-6-18(23)26/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3.
What are the key properties of 1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 382.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 4878955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).