1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one

C17H16F3NO2 — CID 59497113

IUPAC1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)c(OCc2ccccc2)ccn1CC1CC1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)15-14(23-11-13-4-2-1-3-5-13)8-9-21(16(15)22)10-12-6-7-12/h1-5,8-9,12H,6-7,10-11H2
InChIKeyOPMBNDHYGGYNMU-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.86
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one

1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one (PubChem CID 59497113) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one
PubChem CID59497113
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)c(OCc2ccccc2)ccn1CC1CC1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)15-14(23-11-13-4-2-1-3-5-13)8-9-21(16(15)22)10-12-6-7-12/h1-5,8-9,12H,6-7,10-11H2
InChIKeyOPMBNDHYGGYNMU-UHFFFAOYSA-N
XLogP3.86
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one (CID 59497113) is 1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)c(OCc2ccccc2)ccn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is OPMBNDHYGGYNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c18-17(19,20)15-14(23-11-13-4-2-1-3-5-13)8-9-21(16(15)22)10-12-6-7-12/h1-5,8-9,12H,6-7,10-11H2.
What are the key properties of 1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one?
1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 323.31 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-phenylmethoxy-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 59497113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).