2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide

C13H22N2O2 — CID 126750153

IUPAC2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide
SMILESCC(C)(C)C(=O)N1CC2CC(C(N)=O)CC2C1
InChIInChI=1S/C13H22N2O2/c1-13(2,3)12(17)15-6-9-4-8(11(14)16)5-10(9)7-15/h8-10H,4-7H2,1-3H3,(H2,14,16)
InChIKeyKLZRSCQRIVDFNL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.00
Rot. Bonds1

About 2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide

2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide (PubChem CID 126750153) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide
PubChem CID126750153
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide
SMILESCC(C)(C)C(=O)N1CC2CC(C(N)=O)CC2C1
InChIInChI=1S/C13H22N2O2/c1-13(2,3)12(17)15-6-9-4-8(11(14)16)5-10(9)7-15/h8-10H,4-7H2,1-3H3,(H2,14,16)
InChIKeyKLZRSCQRIVDFNL-UHFFFAOYSA-N
XLogP1.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750039
1-(2-bromo-2-methylpropanoyl)azetidine-3-carboxamide
CID 131048709
1-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2,2-dimethylpropan-1-one
CID 138562984
1-[1-(2,2-dimethylpropanoyl)-2-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one
CID 126750104
1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 59440861
bicyclo[3.2.0]heptane-3-carboxamide
CID 53431016
bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 141100816
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2,2-dimethyl-3-oxopropanethioamide
CID 115559909
1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 89150280
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one
CID 135302075
1-(2,2-dimethylpropanoyl)azetidine-3-carbonitrile
CID 89411153
acetamide;tert-butyl (1R,5S)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 143874394

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide (CID 126750153) is 2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide is CC(C)(C)C(=O)N1CC2CC(C(N)=O)CC2C1.
What is the InChIKey of 2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide?
The InChIKey is KLZRSCQRIVDFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,3)12(17)15-6-9-4-8(11(14)16)5-10(9)7-15/h8-10H,4-7H2,1-3H3,(H2,14,16).
What are the key properties of 2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide?
2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide is sourced from PubChem (CID 126750153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).