2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one

C12H21NO — CID 58474374

IUPAC2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one
SMILESCC(C)(C)CN1CC2CCCC2C1=O
InChIInChI=1S/C12H21NO/c1-12(2,3)8-13-7-9-5-4-6-10(9)11(13)14/h9-10H,4-8H2,1-3H3
InChIKeyJPPJRRDFBRAUEB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.29
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one

2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one (PubChem CID 58474374) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one
PubChem CID58474374
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one
SMILESCC(C)(C)CN1CC2CCCC2C1=O
InChIInChI=1S/C12H21NO/c1-12(2,3)8-13-7-9-5-4-6-10(9)11(13)14/h9-10H,4-8H2,1-3H3
InChIKeyJPPJRRDFBRAUEB-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one?
The IUPAC name of 2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one (CID 58474374) is 2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one is CC(C)(C)CN1CC2CCCC2C1=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one?
The InChIKey is JPPJRRDFBRAUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)8-13-7-9-5-4-6-10(9)11(13)14/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one?
2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one has a molecular weight of 195.31 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one is sourced from PubChem (CID 58474374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).