1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone

C9H11NO — CID 82417563

IUPAC1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone
SMILESCC(=O)c1cc2c([nH]1)CCC2
InChIInChI=1S/C9H11NO/c1-6(11)9-5-7-3-2-4-8(7)10-9/h5,10H,2-4H2,1H3
InChIKeyKCZISQWCRMIYTR-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.71
Rot. Bonds1

About 1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone

1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone (PubChem CID 82417563) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone
PubChem CID82417563
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone
SMILESCC(=O)c1cc2c([nH]1)CCC2
InChIInChI=1S/C9H11NO/c1-6(11)9-5-7-3-2-4-8(7)10-9/h5,10H,2-4H2,1H3
InChIKeyKCZISQWCRMIYTR-UHFFFAOYSA-N
XLogP1.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone?
The IUPAC name of 1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone (CID 82417563) is 1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone?
The canonical SMILES for 1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone is CC(=O)c1cc2c([nH]1)CCC2.
What is the InChIKey of 1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone?
The InChIKey is KCZISQWCRMIYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6(11)9-5-7-3-2-4-8(7)10-9/h5,10H,2-4H2,1H3.
What are the key properties of 1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone?
1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone has a molecular weight of 149.19 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone is sourced from PubChem (CID 82417563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).