3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one

C11H11NO — CID 67975699

IUPAC3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
SMILESO=C1CC2CC3C=CC=CC3=C2N1
InChIInChI=1S/C11H11NO/c13-10-6-8-5-7-3-1-2-4-9(7)11(8)12-10/h1-4,7-8H,5-6H2,(H,12,13)
InChIKeyBLEBUEYGAITOAF-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.52
Rot. Bonds

About 3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one

3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one (PubChem CID 67975699) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one.

Molecular Properties

Compound Name3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
PubChem CID67975699
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
SMILESO=C1CC2CC3C=CC=CC3=C2N1
InChIInChI=1S/C11H11NO/c13-10-6-8-5-7-3-1-2-4-9(7)11(8)12-10/h1-4,7-8H,5-6H2,(H,12,13)
InChIKeyBLEBUEYGAITOAF-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
The IUPAC name of 3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one (CID 67975699) is 3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one.
What is the SMILES notation for 3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
The canonical SMILES for 3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one is O=C1CC2CC3C=CC=CC3=C2N1.
What is the InChIKey of 3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
The InChIKey is BLEBUEYGAITOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-10-6-8-5-7-3-1-2-4-9(7)11(8)12-10/h1-4,7-8H,5-6H2,(H,12,13).
What are the key properties of 3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one has a molecular weight of 173.22 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,4a-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one is sourced from PubChem (CID 67975699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).