[(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid

C19H27F3N2O5 — CID 155842714

IUPAC[(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1=CCCC1)N1C[C@@H]2COC[C@]2(CN2CCOCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N2O3.C2HF3O2/c20-16(14-3-1-2-4-14)19-9-15-10-22-13-17(15,12-19)11-18-5-7-21-8-6-18;3-2(4,5)1(6)7/h3,15H,1-2,4-13H2;(H,6,7)/t15-,17+;/m1./s1
InChIKeyHXXBFPJLSLTVHK-KALLACGZSA-N
MW420.43 g/mol
LogP1.54
Rot. Bonds3

About [(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid

[(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155842714) has the molecular formula C19H27F3N2O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is [(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155842714
Molecular FormulaC19H27F3N2O5
Molecular Weight420.43 g/mol
Exact Mass420.19
IUPAC Name[(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1=CCCC1)N1C[C@@H]2COC[C@]2(CN2CCOCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N2O3.C2HF3O2/c20-16(14-3-1-2-4-14)19-9-15-10-22-13-17(15,12-19)11-18-5-7-21-8-6-18;3-2(4,5)1(6)7/h3,15H,1-2,4-13H2;(H,6,7)/t15-,17+;/m1./s1
InChIKeyHXXBFPJLSLTVHK-KALLACGZSA-N
XLogP1.54
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone;2,2,2-trifluoroacetic acid
CID 155852992
[(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 124912729
(3aS,6aR)-5-[(2-methoxyphenyl)methyl]-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155837555
(3aR,6aR)-5-(benzenesulfonyl)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97420502
[(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155845755
[(3aR,6aR)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(4,5-dimethylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 127022213
cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 155862257
[(3aR,6aR)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(4-fluoro-2-methylphenyl)methanone;2,2,2-trifluoroacetic acid
CID 127022214
2-[(3aS,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-(oxazinan-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155833234
(3aR,6aR)-3a-(morpholin-4-ylmethyl)-5-pyridin-3-ylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97420503
N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide
CID 172660423
cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155843206

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid (CID 155842714) is [(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid is O=C(C1=CCCC1)N1C[C@@H]2COC[C@]2(CN2CCOCC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of [(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is HXXBFPJLSLTVHK-KALLACGZSA-N. The full InChI is InChI=1S/C17H26N2O3.C2HF3O2/c20-16(14-3-1-2-4-14)19-9-15-10-22-13-17(15,12-19)11-18-5-7-21-8-6-18;3-2(4,5)1(6)7/h3,15H,1-2,4-13H2;(H,6,7)/t15-,17+;/m1./s1.
What are the key properties of [(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid?
[(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 420.43 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155842714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).