(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C12H17F3N2O — CID 106313755

IUPAC(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1=CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C12H17F3N2O/c1-9-3-2-6-17(7-9)10(18)11(12(13,14)15)4-5-16-8-11/h3,16H,2,4-8H2,1H3
InChIKeyTYVFIVWROHYTND-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.71
Rot. Bonds1

About (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 106313755) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID106313755
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1=CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C12H17F3N2O/c1-9-3-2-6-17(7-9)10(18)11(12(13,14)15)4-5-16-8-11/h3,16H,2,4-8H2,1H3
InChIKeyTYVFIVWROHYTND-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708593
N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708749
N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708750
N-propan-2-yl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709693
N-cyclohex-3-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65700477
N-methyl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81808787
N-ethyl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81808998
N-prop-2-enyl-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81809198
N-tert-butyl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81809513
N-[2-(cyclopenten-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106175100
(3-propan-2-ylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 106981339
2-(aminomethyl)-4,4-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 107472806

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 106313755) is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is CC1=CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1.
What is the InChIKey of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is TYVFIVWROHYTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-9-3-2-6-17(7-9)10(18)11(12(13,14)15)4-5-16-8-11/h3,16H,2,4-8H2,1H3.
What are the key properties of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 262.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 106313755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).