N-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C15H23F3N2O — CID 102891323

IUPACN-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)C1NCC2CCCC21
InChIInChI=1S/C15H23F3N2O/c16-15(17,18)11-6-1-2-7-12(11)20-14(21)13-10-5-3-4-9(10)8-19-13/h9-13,19H,1-8H2,(H,20,21)
InChIKeyHKXKZDQWIMLAPX-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.61
Rot. Bonds2

About N-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102891323) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102891323
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)C1NCC2CCCC21
InChIInChI=1S/C15H23F3N2O/c16-15(17,18)11-6-1-2-7-12(11)20-14(21)13-10-5-3-4-9(10)8-19-13/h9-13,19H,1-8H2,(H,20,21)
InChIKeyHKXKZDQWIMLAPX-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

rac-(1R,3aS,6aR)-octahydrocyclopenta(c)pyrrole-1-carboxamide
CID 97358980
(3S,3aS,6aR)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 168181779
(3S,3aS,6aR)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide
CID 168182416
(3S,3aS,6aR)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide
CID 168182897
5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 175835121
N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide
CID 175856085
(3S,3aS,6aR)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrochloride
CID 175856089
(3S,3aS,6aR)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide
CID 175856098
N-(2,2,2-trifluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24695439
N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide
CID 43712718
1-[2-[(2-cyclohexylacetyl)amino]acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 56270740
(2S)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide
CID 61178088

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102891323) is N-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is O=C(NC1CCCCC1C(F)(F)F)C1NCC2CCCC21.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is HKXKZDQWIMLAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c16-15(17,18)11-6-1-2-7-12(11)20-14(21)13-10-5-3-4-9(10)8-19-13/h9-13,19H,1-8H2,(H,20,21).
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 304.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)cyclohexyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102891323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).