1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one

C15H27NO — CID 71195822

IUPAC1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one
SMILESCCN1C(C(=O)C(C)(C)CC)CC2CCCC21
InChIInChI=1S/C15H27NO/c1-5-15(3,4)14(17)13-10-11-8-7-9-12(11)16(13)6-2/h11-13H,5-10H2,1-4H3
InChIKeyRMRARHGTCOCZML-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.25
Rot. Bonds4

About 1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one

1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one (PubChem CID 71195822) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one
PubChem CID71195822
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one
SMILESCCN1C(C(=O)C(C)(C)CC)CC2CCCC21
InChIInChI=1S/C15H27NO/c1-5-15(3,4)14(17)13-10-11-8-7-9-12(11)16(13)6-2/h11-13H,5-10H2,1-4H3
InChIKeyRMRARHGTCOCZML-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutanoyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
CID 71165580
2,2-dimethyl-1-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)propan-1-one
CID 169320620
1-[(2S,3aS,6aS)-1-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-2,2-dimethylpropan-1-one
CID 58849893
1-(2,2-dimethylpropanoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 16771274
1-(2,2-dimethylbutylcarbamoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 103463179
1-octadecyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 163805410
1-nonyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66469098
1-(2-methylidenebutyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66469313
1-(2-ethylsulfonylethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66471922
1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 59450731
1-[(4-ethylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66471311
1-[2-(methylamino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66471527

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one?
The IUPAC name of 1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one (CID 71195822) is 1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one is CCN1C(C(=O)C(C)(C)CC)CC2CCCC21.
What is the InChIKey of 1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one?
The InChIKey is RMRARHGTCOCZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-15(3,4)14(17)13-10-11-8-7-9-12(11)16(13)6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one?
1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylbutan-1-one is sourced from PubChem (CID 71195822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).