1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone

C9H13NO — CID 129198855

IUPAC1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC2CCCC2=N1
InChIInChI=1S/C9H13NO/c1-6(11)9-5-7-3-2-4-8(7)10-9/h7,9H,2-5H2,1H3/t7?,9-/m0/s1
InChIKeyBZAPDSHZQLJCBG-NETXQHHPSA-N
MW151.21 g/mol
LogP1.59
Rot. Bonds1

About 1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone

1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone (PubChem CID 129198855) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone
PubChem CID129198855
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC2CCCC2=N1
InChIInChI=1S/C9H13NO/c1-6(11)9-5-7-3-2-4-8(7)10-9/h7,9H,2-5H2,1H3/t7?,9-/m0/s1
InChIKeyBZAPDSHZQLJCBG-NETXQHHPSA-N
XLogP1.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone?
The IUPAC name of 1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone (CID 129198855) is 1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone is CC(=O)[C@@H]1CC2CCCC2=N1.
What is the InChIKey of 1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone?
The InChIKey is BZAPDSHZQLJCBG-NETXQHHPSA-N. The full InChI is InChI=1S/C9H13NO/c1-6(11)9-5-7-3-2-4-8(7)10-9/h7,9H,2-5H2,1H3/t7?,9-/m0/s1.
What are the key properties of 1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone?
1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone has a molecular weight of 151.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone is sourced from PubChem (CID 129198855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).