1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one

C19H34N2O — CID 58341323

IUPAC1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CC2C3CCCCC3NC2N1C(C)(C)C
InChIInChI=1S/C19H34N2O/c1-18(2,3)16(22)15-11-13-12-9-7-8-10-14(12)20-17(13)21(15)19(4,5)6/h12-15,17,20H,7-11H2,1-6H3
InChIKeyMOQUYGUQDLLKRU-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.58
Rot. Bonds1

About 1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one

1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 58341323) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one
PubChem CID58341323
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CC2C3CCCCC3NC2N1C(C)(C)C
InChIInChI=1S/C19H34N2O/c1-18(2,3)16(22)15-11-13-12-9-7-8-10-14(12)20-17(13)21(15)19(4,5)6/h12-15,17,20H,7-11H2,1-6H3
InChIKeyMOQUYGUQDLLKRU-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one (CID 58341323) is 1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CC2C3CCCCC3NC2N1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is MOQUYGUQDLLKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-18(2,3)16(22)15-11-13-12-9-7-8-10-14(12)20-17(13)21(15)19(4,5)6/h12-15,17,20H,7-11H2,1-6H3.
What are the key properties of 1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one?
1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 306.49 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58341323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).