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

C17H30N2O2 — CID 126750104

IUPAC1-[1-(2,2-dimethylpropanoyl)-2-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one
SMILESCC1CC2CN(C(=O)C(C)(C)C)CC2N1C(=O)C(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-11-8-12-9-18(14(20)16(2,3)4)10-13(12)19(11)15(21)17(5,6)7/h11-13H,8-10H2,1-7H3
InChIKeyLYTZTUUTRSNYEC-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.53
Rot. Bonds

About 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

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 (PubChem CID 126750104) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropanoyl)-2-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one
PubChem CID126750104
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-[1-(2,2-dimethylpropanoyl)-2-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one
SMILESCC1CC2CN(C(=O)C(C)(C)C)CC2N1C(=O)C(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-11-8-12-9-18(14(20)16(2,3)4)10-13(12)19(11)15(21)17(5,6)7/h11-13H,8-10H2,1-7H3
InChIKeyLYTZTUUTRSNYEC-UHFFFAOYSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 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

2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide
CID 126750153
1-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2,2-dimethylpropan-1-one
CID 138562984
1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 59440861
1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750039
tert-butyl 5-(2,2-dimethylpropanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
CID 126750089
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
N-[1-(2,2-dimethylpropanoyl)-5-methylpiperidin-3-yl]acetamide
CID 112541844
1-[4-(4-chloro-1H-pyrrole-2-carbonyl)-3,5-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 132971246
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one
CID 176736984

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC2CN(C(=O)C(C)(C)C)CC2N1C(=O)C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is LYTZTUUTRSNYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11-8-12-9-18(14(20)16(2,3)4)10-13(12)19(11)15(21)17(5,6)7/h11-13H,8-10H2,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 294.44 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126750104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).