(2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C14H21F3N2O — CID 106975871

IUPAC(2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCN1
InChIInChI=1S/C14H21F3N2O/c1-2-6-13(7-3-8-18-13)12(20)19-9-4-11(5-10-19)14(15,16)17/h4,18H,2-3,5-10H2,1H3
InChIKeyNVOXXQLPIXBOMF-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.63
Rot. Bonds3

About (2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 106975871) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is (2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID106975871
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name(2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCN1
InChIInChI=1S/C14H21F3N2O/c1-2-6-13(7-3-8-18-13)12(20)19-9-4-11(5-10-19)14(15,16)17/h4,18H,2-3,5-10H2,1H3
InChIKeyNVOXXQLPIXBOMF-UHFFFAOYSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorocyclohex-3-en-1-yl)methyl]pyrrolidine-2-carboxamide
CID 172877858
(3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 70334851
(3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide
CID 70335154
3,3-Difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371875
1-(2,2,2-Trifluoroacetyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371920
[(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104930317
(3-methylpiperidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 107068654
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343835
2-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 113591630
pyrrolidin-2-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113591645
[(2S)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113591647
(3-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113735552

Frequently Asked Questions

What is the IUPAC name of (2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 106975871) is (2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is CCCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCN1.
What is the InChIKey of (2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is NVOXXQLPIXBOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-2-6-13(7-3-8-18-13)12(20)19-9-4-11(5-10-19)14(15,16)17/h4,18H,2-3,5-10H2,1H3.
What are the key properties of (2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 290.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 106975871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).