1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one

C17H26F3NO — CID 158819532

IUPAC1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one
SMILESC1=C(N2CCCC2)CCCC1.O=C1CCCCC1C(F)(F)F
InChIInChI=1S/C10H17N.C7H9F3O/c1-2-6-10(7-3-1)11-8-4-5-9-11;8-7(9,10)5-3-1-2-4-6(5)11/h6H,1-5,7-9H2;5H,1-4H2
InChIKeyIVRQAMWAFILURE-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.85
Rot. Bonds1

About 1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one

1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one (PubChem CID 158819532) has the molecular formula C17H26F3NO and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one
PubChem CID158819532
Molecular FormulaC17H26F3NO
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one
SMILESC1=C(N2CCCC2)CCCC1.O=C1CCCCC1C(F)(F)F
InChIInChI=1S/C10H17N.C7H9F3O/c1-2-6-10(7-3-1)11-8-4-5-9-11;8-7(9,10)5-3-1-2-4-6(5)11/h6H,1-5,7-9H2;5H,1-4H2
InChIKeyIVRQAMWAFILURE-UHFFFAOYSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(trifluoromethyl)cyclohexan-1-one
CID 7021848
1-(cyclohepten-1-yl)pyrrolidine
CID 586037
hassium;2,3,4,6,7,8-hexahydro-1H-quinolizine
CID 175795723
2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,5,6,7-hexahydroindolizine
CID 66673098
1-[(1E)-cycloocten-1-yl]aziridine
CID 12703122
2,2-difluoro-2-(2-oxocyclohexyl)acetic acid
CID 84719815
1-(cyclohexen-1-yl)piperidin-3-ol
CID 23913393
4-[(1Z)-cyclododecen-1-yl]morpholine
CID 11075926
1-(cyclopenten-1-yl)-4-methylpiperidine
CID 55270216
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)cyclohexan-1-one
CID 14914260
CID 161488544
CID 161488544
1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine
CID 155397034

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one (CID 158819532) is 1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one is C1=C(N2CCCC2)CCCC1.O=C1CCCCC1C(F)(F)F.
What is the InChIKey of 1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one?
The InChIKey is IVRQAMWAFILURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C7H9F3O/c1-2-6-10(7-3-1)11-8-4-5-9-11;8-7(9,10)5-3-1-2-4-6(5)11/h6H,1-5,7-9H2;5H,1-4H2.
What are the key properties of 1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one?
1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one has a molecular weight of 317.40 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one is sourced from PubChem (CID 158819532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).