1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone

C12H19NO — CID 25097848

IUPAC1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone
SMILESO=C(C1CCC1)C1CC2CNCC2C1
InChIInChI=1S/C12H19NO/c14-12(8-2-1-3-8)9-4-10-6-13-7-11(10)5-9/h8-11,13H,1-7H2
InChIKeyYUKNEWDAIPMMTO-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.60
Rot. Bonds2

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone (PubChem CID 25097848) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone
PubChem CID25097848
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone
SMILESO=C(C1CCC1)C1CC2CNCC2C1
InChIInChI=1S/C12H19NO/c14-12(8-2-1-3-8)9-4-10-6-13-7-11(10)5-9/h8-11,13H,1-7H2
InChIKeyYUKNEWDAIPMMTO-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone (CID 25097848) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone is O=C(C1CCC1)C1CC2CNCC2C1.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone?
The InChIKey is YUKNEWDAIPMMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-12(8-2-1-3-8)9-4-10-6-13-7-11(10)5-9/h8-11,13H,1-7H2.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone?
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone has a molecular weight of 193.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone is sourced from PubChem (CID 25097848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).