1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide

C12H12N2O — CID 139207821

IUPAC1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide
SMILESNC(=O)C1CNC2=c3ccccc3=CC21
InChIInChI=1S/C12H12N2O/c13-12(15)10-6-14-11-8-4-2-1-3-7(8)5-9(10)11/h1-5,9-10,14H,6H2,(H2,13,15)
InChIKeyPLLIJIJLGZSHIP-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.09
Rot. Bonds1

About 1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide

1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide (PubChem CID 139207821) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide
PubChem CID139207821
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide
SMILESNC(=O)C1CNC2=c3ccccc3=CC21
InChIInChI=1S/C12H12N2O/c13-12(15)10-6-14-11-8-4-2-1-3-7(8)5-9(10)11/h1-5,9-10,14H,6H2,(H2,13,15)
InChIKeyPLLIJIJLGZSHIP-UHFFFAOYSA-N
XLogP-1.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide?
The IUPAC name of 1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide (CID 139207821) is 1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide.
What is the SMILES notation for 1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide?
The canonical SMILES for 1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide is NC(=O)C1CNC2=c3ccccc3=CC21.
What is the InChIKey of 1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide?
The InChIKey is PLLIJIJLGZSHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-12(15)10-6-14-11-8-4-2-1-3-7(8)5-9(10)11/h1-5,9-10,14H,6H2,(H2,13,15).
What are the key properties of 1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide?
1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide has a molecular weight of 200.24 g/mol, XLogP of -1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a-tetrahydroindeno[1,2-b]pyrrole-3-carboxamide is sourced from PubChem (CID 139207821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).