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

C20H28F3N3O3 — CID 155845720

IUPAC(3aR,4R,8bR)-N,N-dimethyl-4-[methyl(propan-2-yl)amino]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)N(C)C)C[C@@H]21.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N3O.C2HF3O2/c1-12(2)20(5)17-14-9-7-6-8-13(14)15-10-21(11-16(15)17)18(22)19(3)4;3-2(4,5)1(6)7/h6-9,12,15-17H,10-11H2,1-5H3;(H,6,7)/t15-,16-,17-;/m0./s1
InChIKeyAWPZRLPWDIDDKU-FRKSIBALSA-N
MW415.46 g/mol
LogP3.41
Rot. Bonds2

About (3aR,4R,8bR)-N,N-dimethyl-4-[methyl(propan-2-yl)amino]-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-[methyl(propan-2-yl)amino]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155845720) has the molecular formula C20H28F3N3O3 and a molecular weight of 415.46 g/mol. Its IUPAC name is (3aR,4R,8bR)-N,N-dimethyl-4-[methyl(propan-2-yl)amino]-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-[methyl(propan-2-yl)amino]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155845720
Molecular FormulaC20H28F3N3O3
Molecular Weight415.46 g/mol
Exact Mass415.21
IUPAC Name(3aR,4R,8bR)-N,N-dimethyl-4-[methyl(propan-2-yl)amino]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)N(C)C)C[C@@H]21.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N3O.C2HF3O2/c1-12(2)20(5)17-14-9-7-6-8-13(14)15-10-21(11-16(15)17)18(22)19(3)4;3-2(4,5)1(6)7/h6-9,12,15-17H,10-11H2,1-5H3;(H,6,7)/t15-,16-,17-;/m0./s1
InChIKeyAWPZRLPWDIDDKU-FRKSIBALSA-N
XLogP3.41
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,4R,8bR)-N,N-dimethyl-4-[methyl(propan-2-yl)amino]-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

1-[(4S)-8-fluoro-1,2,3,3a,4,8b-hexahydroindeno[2,3-c]pyrrol-4-yl]-3-methylurea
CID 134689188
tert-butyl (3aS,8bS)-4-methylidene-2,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-1-carboxylate
CID 72203700
1-[(3aR,4S,8bR)-8-fluoro-1,2,3,3a,4,8b-hexahydroindeno[2,3-c]pyrrol-4-yl]-3-methylurea
CID 97521699
1-[(3aS,4R,8bS)-8-fluoro-2-propan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[2,3-c]pyrrol-4-yl]-3-methylurea
CID 97521702
1-[(3aS,4R,8bS)-2-acetyl-8-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[2,3-c]pyrrol-4-yl]-3-methylurea
CID 97521703
(3aR,4S,8bR)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide
CID 97521704
1-[(3aR,4S,8bR)-8-fluoro-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[2,3-c]pyrrol-4-yl]-3-methylurea
CID 98781081
(3S,4S)-1-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122007150
(3S,4S)-1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122012416
1-[(3aR,4S,8bR)-8-fluoro-2-propan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[2,3-c]pyrrol-4-yl]-3-methylurea
CID 125260524
(3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide
CID 125261474
1-[(3aR,4S,8bR)-2-acetyl-8-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[2,3-c]pyrrol-4-yl]-3-methylurea
CID 125261661

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,8bR)-N,N-dimethyl-4-[methyl(propan-2-yl)amino]-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-[methyl(propan-2-yl)amino]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155845720) is (3aR,4R,8bR)-N,N-dimethyl-4-[methyl(propan-2-yl)amino]-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-[methyl(propan-2-yl)amino]-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-[methyl(propan-2-yl)amino]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)N(C)C)C[C@@H]21.O=C(O)C(F)(F)F.
What is the InChIKey of (3aR,4R,8bR)-N,N-dimethyl-4-[methyl(propan-2-yl)amino]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is AWPZRLPWDIDDKU-FRKSIBALSA-N. The full InChI is InChI=1S/C18H27N3O.C2HF3O2/c1-12(2)20(5)17-14-9-7-6-8-13(14)15-10-21(11-16(15)17)18(22)19(3)4;3-2(4,5)1(6)7/h6-9,12,15-17H,10-11H2,1-5H3;(H,6,7)/t15-,16-,17-;/m0./s1.
What are the key properties of (3aR,4R,8bR)-N,N-dimethyl-4-[methyl(propan-2-yl)amino]-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-[methyl(propan-2-yl)amino]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 415.46 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,8bR)-N,N-dimethyl-4-[methyl(propan-2-yl)amino]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155845720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).