3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone

C17H17F3N2O — CID 166889878

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2ccc(C(F)(F)F)cc2[nH]1)N1CC2CCCC2C1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)13-5-4-10-6-15(21-14(10)7-13)16(23)22-8-11-2-1-3-12(11)9-22/h4-7,11-12,21H,1-3,8-9H2
InChIKeyBFOPSCYMSSCQQS-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.06
Rot. Bonds1

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone (PubChem CID 166889878) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone
PubChem CID166889878
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2ccc(C(F)(F)F)cc2[nH]1)N1CC2CCCC2C1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)13-5-4-10-6-15(21-14(10)7-13)16(23)22-8-11-2-1-3-12(11)9-22/h4-7,11-12,21H,1-3,8-9H2
InChIKeyBFOPSCYMSSCQQS-UHFFFAOYSA-N
XLogP4.06
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone (CID 166889878) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone is O=C(c1cc2ccc(C(F)(F)F)cc2[nH]1)N1CC2CCCC2C1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone?
The InChIKey is BFOPSCYMSSCQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c18-17(19,20)13-5-4-10-6-15(21-14(10)7-13)16(23)22-8-11-2-1-3-12(11)9-22/h4-7,11-12,21H,1-3,8-9H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone has a molecular weight of 322.33 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 166889878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).