2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole

C18H34N2 — CID 58963092

IUPAC2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole
SMILESCC(C)(C)C1CC2C3CCCCC3NC2N1C(C)(C)C
InChIInChI=1S/C18H34N2/c1-17(2,3)15-11-13-12-9-7-8-10-14(12)19-16(13)20(15)18(4,5)6/h12-16,19H,7-11H2,1-6H3
InChIKeyUMRKGPDFMWFTOB-UHFFFAOYSA-N
MW278.48 g/mol
LogP4.01
Rot. Bonds

About 2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole

2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole (PubChem CID 58963092) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole
PubChem CID58963092
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole
SMILESCC(C)(C)C1CC2C3CCCCC3NC2N1C(C)(C)C
InChIInChI=1S/C18H34N2/c1-17(2,3)15-11-13-12-9-7-8-10-14(12)19-16(13)20(15)18(4,5)6/h12-16,19H,7-11H2,1-6H3
InChIKeyUMRKGPDFMWFTOB-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of 2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole (CID 58963092) is 2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for 2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for 2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole is CC(C)(C)C1CC2C3CCCCC3NC2N1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is UMRKGPDFMWFTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-17(2,3)15-11-13-12-9-7-8-10-14(12)19-16(13)20(15)18(4,5)6/h12-16,19H,7-11H2,1-6H3.
What are the key properties of 2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole?
2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 278.48 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 58963092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).