N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H15F3N2O — CID 63709144

IUPACN-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC1CC1NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H15F3N2O/c1-6-4-7(6)15-8(16)9(10(11,12)13)2-3-14-5-9/h6-7,14H,2-5H2,1H3,(H,15,16)
InChIKeyHKWKOPMYKATNGA-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.05
Rot. Bonds2

About N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709144) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709144
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC1CC1NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H15F3N2O/c1-6-4-7(6)15-8(16)9(10(11,12)13)2-3-14-5-9/h6-7,14H,2-5H2,1H3,(H,15,16)
InChIKeyHKWKOPMYKATNGA-UHFFFAOYSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708209
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708403
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103287344
N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106134159
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709848
N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236
N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709149
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103308296

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709144) is N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC1CC1NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is HKWKOPMYKATNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-6-4-7(6)15-8(16)9(10(11,12)13)2-3-14-5-9/h6-7,14H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 236.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).