3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one

C11H14F3NO — CID 174836998

IUPAC3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one
SMILESC=CCC1(CC=C)CC(C(F)(F)F)NC1=O
InChIInChI=1S/C11H14F3NO/c1-3-5-10(6-4-2)7-8(11(12,13)14)15-9(10)16/h3-4,8H,1-2,5-7H2,(H,15,16)
InChIKeyXXOQEAUQECZVQR-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.58
Rot. Bonds4

About 3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one

3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 174836998) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID174836998
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one
SMILESC=CCC1(CC=C)CC(C(F)(F)F)NC1=O
InChIInChI=1S/C11H14F3NO/c1-3-5-10(6-4-2)7-8(11(12,13)14)15-9(10)16/h3-4,8H,1-2,5-7H2,(H,15,16)
InChIKeyXXOQEAUQECZVQR-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(1,1-difluoropent-1-en-3-yl)pyrrolidin-2-one
CID 117688359
(5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one
CID 167119665
(4R)-N-ethyl-2,4-dimethyl-4-(trifluoromethyl)hept-6-enamide
CID 169847269
1-[3-(Trifluoromethyl)pyrrolidin-3-yl]but-3-en-1-one
CID 116572732
(5S)-3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 174836996
3-(3-Buten-1-YL)-2-pyrrolidinone
CID 14974622
3,3-Di-2-propen-1-yl-2-pyrrolidinone
CID 15890929
4-Methyl-5-(2-propenyl)pyrrolidin-2-one
CID 18782103
2-Azaspiro[4.5]dec-7-en-1-one
CID 85903586
3-But-3-enyl-3-prop-2-enylpyrrolidin-2-one
CID 85903767
2-Azaspiro[4.4]non-8-en-1-one
CID 89649765
5-Ethyl-3-prop-2-enylpyrrolidin-2-one
CID 91284017

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one (CID 174836998) is 3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one is C=CCC1(CC=C)CC(C(F)(F)F)NC1=O.
What is the InChIKey of 3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is XXOQEAUQECZVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-3-5-10(6-4-2)7-8(11(12,13)14)15-9(10)16/h3-4,8H,1-2,5-7H2,(H,15,16).
What are the key properties of 3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one?
3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 233.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(prop-2-enyl)-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 174836998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).