(3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone

C14H17F3N2O2 — CID 138031026

IUPAC(3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone
SMILESCc1occ(C(F)(F)F)c1C(=O)N1CC2CCCC2(N)C1
InChIInChI=1S/C14H17F3N2O2/c1-8-11(10(6-21-8)14(15,16)17)12(20)19-5-9-3-2-4-13(9,18)7-19/h6,9H,2-5,7,18H2,1H3
InChIKeySODOXNJQJJSEML-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.56
Rot. Bonds1

About (3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone

(3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone (PubChem CID 138031026) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is (3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone.

Molecular Properties

Compound Name(3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone
PubChem CID138031026
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name(3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone
SMILESCc1occ(C(F)(F)F)c1C(=O)N1CC2CCCC2(N)C1
InChIInChI=1S/C14H17F3N2O2/c1-8-11(10(6-21-8)14(15,16)17)12(20)19-5-9-3-2-4-13(9,18)7-19/h6,9H,2-5,7,18H2,1H3
InChIKeySODOXNJQJJSEML-UHFFFAOYSA-N
XLogP2.56
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone?
The IUPAC name of (3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone (CID 138031026) is (3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone.
What is the SMILES notation for (3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone?
The canonical SMILES for (3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone is Cc1occ(C(F)(F)F)c1C(=O)N1CC2CCCC2(N)C1.
What is the InChIKey of (3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone?
The InChIKey is SODOXNJQJJSEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8-11(10(6-21-8)14(15,16)17)12(20)19-5-9-3-2-4-13(9,18)7-19/h6,9H,2-5,7,18H2,1H3.
What are the key properties of (3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone?
(3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone has a molecular weight of 302.30 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-[2-methyl-4-(trifluoromethyl)furan-3-yl]methanone is sourced from PubChem (CID 138031026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).