3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide

C10H13F3N2O2 — CID 126824759

IUPAC3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide
SMILESC=CC(=O)N1CCC(NC(=O)CC(F)(F)F)C1
InChIInChI=1S/C10H13F3N2O2/c1-2-9(17)15-4-3-7(6-15)14-8(16)5-10(11,12)13/h2,7H,1,3-6H2,(H,14,16)
InChIKeyLBTIBZMOTLCFDQ-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.84
Rot. Bonds3

About 3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide

3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide (PubChem CID 126824759) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide
PubChem CID126824759
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide
SMILESC=CC(=O)N1CCC(NC(=O)CC(F)(F)F)C1
InChIInChI=1S/C10H13F3N2O2/c1-2-9(17)15-4-3-7(6-15)14-8(16)5-10(11,12)13/h2,7H,1,3-6H2,(H,14,16)
InChIKeyLBTIBZMOTLCFDQ-UHFFFAOYSA-N
XLogP0.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-Aminopyrrolidin-1-yl)prop-2-en-1-one, trifluoroacetic acid
CID 177798548
(R)-1-(3-Aminopyrrolidin-1-yl)prop-2-en-1-one
CID 94339940
4,4-difluoro-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 123761251
N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide
CID 146367147
1-(4-Amino-3,3-difluoropyrrolidin-1-yl)prop-2-en-1-one;2,2,2-trifluoroacetic acid
CID 146504205
1-(4-Amino-3,3-difluoropyrrolidin-1-yl)prop-2-en-1-one
CID 146504206
(4,4-Difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid
CID 146504224
2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 153496566
N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide
CID 155030598
1-[2-(Fluoromethyl)-3-(methylamino)pyrrolidin-1-yl]prop-2-en-1-one
CID 172577388
2-[methyl-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]-N-prop-2-enylacetamide
CID 60303442
N-{[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl}prop-2-enamide
CID 60856487

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide (CID 126824759) is 3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide is C=CC(=O)N1CCC(NC(=O)CC(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide?
The InChIKey is LBTIBZMOTLCFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-2-9(17)15-4-3-7(6-15)14-8(16)5-10(11,12)13/h2,7H,1,3-6H2,(H,14,16).
What are the key properties of 3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide?
3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide has a molecular weight of 250.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 126824759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).