(3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide

C15H18FN3O2 — CID 125261474

IUPAC(3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide
SMILESCNC(=O)N1C[C@@H]2[C@H](C1)c1c(F)cccc1[C@@H]2NC(C)=O
InChIInChI=1S/C15H18FN3O2/c1-8(20)18-14-9-4-3-5-12(16)13(9)10-6-19(7-11(10)14)15(21)17-2/h3-5,10-11,14H,6-7H2,1-2H3,(H,17,21)(H,18,20)/t10-,11+,14-/m0/s1
InChIKeyVJSVBMCYUHKBNC-WDMOLILDSA-N
MW291.33 g/mol
LogP1.37
Rot. Bonds1

About (3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide

(3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide (PubChem CID 125261474) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is (3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide
PubChem CID125261474
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name(3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide
SMILESCNC(=O)N1C[C@@H]2[C@H](C1)c1c(F)cccc1[C@@H]2NC(C)=O
InChIInChI=1S/C15H18FN3O2/c1-8(20)18-14-9-4-3-5-12(16)13(9)10-6-19(7-11(10)14)15(21)17-2/h3-5,10-11,14H,6-7H2,1-2H3,(H,17,21)(H,18,20)/t10-,11+,14-/m0/s1
InChIKeyVJSVBMCYUHKBNC-WDMOLILDSA-N
XLogP1.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide with MolForge

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Related Compounds

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CID 65845
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1-[2-[4-[(1S,3R)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;hydrate
CID 52949082
1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
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(3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
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CID 134689188
6-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
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7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
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Frequently Asked Questions

What is the IUPAC name of (3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide?
The IUPAC name of (3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide (CID 125261474) is (3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide?
The canonical SMILES for (3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide is CNC(=O)N1C[C@@H]2[C@H](C1)c1c(F)cccc1[C@@H]2NC(C)=O.
What is the InChIKey of (3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide?
The InChIKey is VJSVBMCYUHKBNC-WDMOLILDSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-8(20)18-14-9-4-3-5-12(16)13(9)10-6-19(7-11(10)14)15(21)17-2/h3-5,10-11,14H,6-7H2,1-2H3,(H,17,21)(H,18,20)/t10-,11+,14-/m0/s1.
What are the key properties of (3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide?
(3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,8bS)-4-acetamido-8-fluoro-N-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxamide is sourced from PubChem (CID 125261474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).