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

C22H40N2O — CID 58341305

IUPAC1-(3-tert-butyl-1-propan-2-yl-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)C1C2C3CCCCC3NC2N(C(C)(C)C)C1C(=O)C(C)(C)C
InChIInChI=1S/C22H40N2O/c1-13(2)16-17-14-11-9-10-12-15(14)23-20(17)24(22(6,7)8)18(16)19(25)21(3,4)5/h13-18,20,23H,9-12H2,1-8H3
InChIKeyFSIUQLRVZHZURU-UHFFFAOYSA-N
MW348.58 g/mol
LogP4.46
Rot. Bonds2

About 1-(3-tert-butyl-1-propan-2-yl-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-1-propan-2-yl-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 58341305) has the molecular formula C22H40N2O and a molecular weight of 348.58 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-propan-2-yl-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-1-propan-2-yl-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 CID58341305
Molecular FormulaC22H40N2O
Molecular Weight348.58 g/mol
Exact Mass348.31
IUPAC Name1-(3-tert-butyl-1-propan-2-yl-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)C1C2C3CCCCC3NC2N(C(C)(C)C)C1C(=O)C(C)(C)C
InChIInChI=1S/C22H40N2O/c1-13(2)16-17-14-11-9-10-12-15(14)23-20(17)24(22(6,7)8)18(16)19(25)21(3,4)5/h13-18,20,23H,9-12H2,1-8H3
InChIKeyFSIUQLRVZHZURU-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-tert-butyl-1-propan-2-yl-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-1-propan-2-yl-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-1-propan-2-yl-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 58341305) is 1-(3-tert-butyl-1-propan-2-yl-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-1-propan-2-yl-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-1-propan-2-yl-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)C1C2C3CCCCC3NC2N(C(C)(C)C)C1C(=O)C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-1-propan-2-yl-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 FSIUQLRVZHZURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O/c1-13(2)16-17-14-11-9-10-12-15(14)23-20(17)24(22(6,7)8)18(16)19(25)21(3,4)5/h13-18,20,23H,9-12H2,1-8H3.
What are the key properties of 1-(3-tert-butyl-1-propan-2-yl-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-1-propan-2-yl-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 348.58 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-propan-2-yl-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 58341305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).