(3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

C20H26F3N3O4 — CID 155847137

IUPAC(3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)N1C[C@H]2[C@@H](C1)c1ccccc1[C@@H]2N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N3O2.C2HF3O2/c1-19(2)18(22)21-11-15-13-5-3-4-6-14(13)17(16(15)12-21)20-7-9-23-10-8-20;3-2(4,5)1(6)7/h3-6,15-17H,7-12H2,1-2H3;(H,6,7)/t15-,16-,17-;/m0./s1
InChIKeyQVAJMRSZEPQJGI-FRKSIBALSA-N
MW429.44 g/mol
LogP2.40
Rot. Bonds1

About (3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

(3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155847137) has the molecular formula C20H26F3N3O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is (3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155847137
Molecular FormulaC20H26F3N3O4
Molecular Weight429.44 g/mol
Exact Mass429.19
IUPAC Name(3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)N1C[C@H]2[C@@H](C1)c1ccccc1[C@@H]2N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N3O2.C2HF3O2/c1-19(2)18(22)21-11-15-13-5-3-4-6-14(13)17(16(15)12-21)20-7-9-23-10-8-20;3-2(4,5)1(6)7/h3-6,15-17H,7-12H2,1-2H3;(H,6,7)/t15-,16-,17-;/m0./s1
InChIKeyQVAJMRSZEPQJGI-FRKSIBALSA-N
XLogP2.40
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
CID 118744724
[(3aR,4R,8bR)-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl]-(1-fluorocyclobutyl)methanone
CID 129554446
[(3aR,4R,8bR)-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl]-(1-fluorocyclopropyl)methanone
CID 129554780
2-[(3aR,4R,8bR)-4-(dimethylcarbamoylamino)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 155823525
[(3aR,4R,8bR)-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl]-(oxan-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155824520
[(3aS,6aR)-2-[(3-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155826870
N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155835831
4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155836805
4-[(3aR,4R,8bR)-2-cyclopropylsulfonyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine;2,2,2-trifluoroacetic acid
CID 155837867
2-[(3aR,4R,8bR)-4-[methyl(propan-2-yl)amino]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl]ethanol;bis(2,2,2-trifluoroacetic acid)
CID 155840048
1-[(3aR,4R,8bR)-4-[methyl(propan-2-yl)amino]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl]-2-methoxyethanone;2,2,2-trifluoroacetic acid
CID 155840871
4-[(3aR,4R,8bR)-2-ethylsulfonyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine;2,2,2-trifluoroacetic acid
CID 155841387

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155847137) is (3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)N1C[C@H]2[C@@H](C1)c1ccccc1[C@@H]2N1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is QVAJMRSZEPQJGI-FRKSIBALSA-N. The full InChI is InChI=1S/C18H25N3O2.C2HF3O2/c1-19(2)18(22)21-11-15-13-5-3-4-6-14(13)17(16(15)12-21)20-7-9-23-10-8-20;3-2(4,5)1(6)7/h3-6,15-17H,7-12H2,1-2H3;(H,6,7)/t15-,16-,17-;/m0./s1.
What are the key properties of (3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
(3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 429.44 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,8bR)-N,N-dimethyl-4-morpholin-4-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155847137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).