1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one

C9H12F3NO — CID 23594536

IUPAC1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one
SMILESC=C1N(C)C(=O)C(C)C1(C)C(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-5-7(14)13(4)6(2)8(5,3)9(10,11)12/h5H,2H2,1,3-4H3
InChIKeyRRVUYUXLGBURDG-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.18
Rot. Bonds

About 1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one

1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 23594536) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one
PubChem CID23594536
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one
SMILESC=C1N(C)C(=O)C(C)C1(C)C(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-5-7(14)13(4)6(2)8(5,3)9(10,11)12/h5H,2H2,1,3-4H3
InChIKeyRRVUYUXLGBURDG-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one (CID 23594536) is 1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one is C=C1N(C)C(=O)C(C)C1(C)C(F)(F)F.
What is the InChIKey of 1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is RRVUYUXLGBURDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-5-7(14)13(4)6(2)8(5,3)9(10,11)12/h5H,2H2,1,3-4H3.
What are the key properties of 1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one?
1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 207.19 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 23594536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).