3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one

C12H17NO — CID 104788019

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(N2CC3CCCC3C2)CC1
InChIInChI=1S/C12H17NO/c14-12-5-4-11(6-12)13-7-9-2-1-3-10(9)8-13/h6,9-10H,1-5,7-8H2
InChIKeyNLENBODMCFRKLR-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.97
Rot. Bonds1

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one (PubChem CID 104788019) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one
PubChem CID104788019
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(N2CC3CCCC3C2)CC1
InChIInChI=1S/C12H17NO/c14-12-5-4-11(6-12)13-7-9-2-1-3-10(9)8-13/h6,9-10H,1-5,7-8H2
InChIKeyNLENBODMCFRKLR-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one (CID 104788019) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one is O=C1C=C(N2CC3CCCC3C2)CC1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one?
The InChIKey is NLENBODMCFRKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12-5-4-11(6-12)13-7-9-2-1-3-10(9)8-13/h6,9-10H,1-5,7-8H2.
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one has a molecular weight of 191.27 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 104788019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).