3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one

C15H27NO — CID 134859807

IUPAC3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one
SMILESCN1C(=O)C(C)(CC(C)(C)C)C2CCCCC21
InChIInChI=1S/C15H27NO/c1-14(2,3)10-15(4)11-8-6-7-9-12(11)16(5)13(15)17/h11-12H,6-10H2,1-5H3
InChIKeyZMJNMOAEXHNOHB-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.46
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one

3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one (PubChem CID 134859807) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one
PubChem CID134859807
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one
SMILESCN1C(=O)C(C)(CC(C)(C)C)C2CCCCC21
InChIInChI=1S/C15H27NO/c1-14(2,3)10-15(4)11-8-6-7-9-12(11)16(5)13(15)17/h11-12H,6-10H2,1-5H3
InChIKeyZMJNMOAEXHNOHB-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one with MolForge

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Related Compounds

1,3-dimethyl-3-(nitromethyl)-3a,4,5,6,7,7a-hexahydroindol-2-one
CID 134859786
3,3,4,4-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one
CID 11790444
5-tert-butyl-3-(2,2-dimethylpropyl)-3-methyloxonan-2-one
CID 167604700
7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol
CID 130484131
1-benzyl-3,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one
CID 71490768
2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione
CID 167951497
3-tert-butyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 118424452
(3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one
CID 71204687
1-(3,3-dimethylbutanoyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
CID 71165580
(1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one
CID 51357758
2,2-dimethylpropyl (3aS,7aS)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
CID 67232929
3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid
CID 116982156

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one (CID 134859807) is 3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one is CN1C(=O)C(C)(CC(C)(C)C)C2CCCCC21.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one?
The InChIKey is ZMJNMOAEXHNOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-14(2,3)10-15(4)11-8-6-7-9-12(11)16(5)13(15)17/h11-12H,6-10H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one?
3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one has a molecular weight of 237.39 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one is sourced from PubChem (CID 134859807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).