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

C12H17F3N2O — CID 114489932

IUPAC(2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCN1
InChIInChI=1S/C12H17F3N2O/c1-11(5-2-6-16-11)10(18)17-7-3-9(4-8-17)12(13,14)15/h3,16H,2,4-8H2,1H3
InChIKeyJYDBOYUGUYNMJK-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.85
Rot. Bonds1

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

(2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114489932) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is (2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114489932
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name(2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCN1
InChIInChI=1S/C12H17F3N2O/c1-11(5-2-6-16-11)10(18)17-7-3-9(4-8-17)12(13,14)15/h3,16H,2,4-8H2,1H3
InChIKeyJYDBOYUGUYNMJK-UHFFFAOYSA-N
XLogP1.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.85
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

(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
(2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide
CID 126622920
(2S,4R)-4-fluoro-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide
CID 126623038
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
N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]pyrrolidine-2-carboxamide
CID 144912267
N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide
CID 153350983
N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide
CID 156837507
(2S)-N-[(Z,2E)-2-ethylidene-5,5,5-trifluoro-4-(methylamino)pent-3-enyl]-4-methylpyrrolidine-2-carboxamide
CID 175623938
4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide
CID 176786621
(2R)-2-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 104930309

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114489932) is (2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is CC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCN1.
What is the InChIKey of (2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is JYDBOYUGUYNMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-11(5-2-6-16-11)10(18)17-7-3-9(4-8-17)12(13,14)15/h3,16H,2,4-8H2,1H3.
What are the key properties of (2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 262.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114489932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).