1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H15F3N2O — CID 178011070

IUPAC1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1CN(C)CC1C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-3-4-14-9(16)7-5-15(2)6-8(7)10(11,12)13/h3,7-8H,1,4-6H2,2H3,(H,14,16)
InChIKeyRMMGJXYUIZLMRK-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.03
Rot. Bonds3

About 1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide

1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 178011070) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID178011070
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1CN(C)CC1C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-3-4-14-9(16)7-5-15(2)6-8(7)10(11,12)13/h3,7-8H,1,4-6H2,2H3,(H,14,16)
InChIKeyRMMGJXYUIZLMRK-UHFFFAOYSA-N
XLogP1.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 178011070) is 1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide is C=CCNC(=O)C1CN(C)CC1C(F)(F)F.
What is the InChIKey of 1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is RMMGJXYUIZLMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-3-4-14-9(16)7-5-15(2)6-8(7)10(11,12)13/h3,7-8H,1,4-6H2,2H3,(H,14,16).
What are the key properties of 1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 236.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-prop-2-enyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 178011070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).