1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one

C9H12F3NO — CID 137473620

IUPAC1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one
SMILESC=CCC1(C(F)(F)F)CCN(C)C1=O
InChIInChI=1S/C9H12F3NO/c1-3-4-8(9(10,11)12)5-6-13(2)7(8)14/h3H,1,4-6H2,2H3
InChIKeyVCKYGXVRWNJCHX-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.97
Rot. Bonds2

About 1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one

1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 137473620) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one
PubChem CID137473620
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one
SMILESC=CCC1(C(F)(F)F)CCN(C)C1=O
InChIInChI=1S/C9H12F3NO/c1-3-4-8(9(10,11)12)5-6-13(2)7(8)14/h3H,1,4-6H2,2H3
InChIKeyVCKYGXVRWNJCHX-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one (CID 137473620) is 1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one is C=CCC1(C(F)(F)F)CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is VCKYGXVRWNJCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-3-4-8(9(10,11)12)5-6-13(2)7(8)14/h3H,1,4-6H2,2H3.
What are the key properties of 1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one?
1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 207.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 137473620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).