tert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate

C17H19NO2 — CID 24766114

IUPACtert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2ccc3c(c21)CCC=C3
InChIInChI=1S/C17H19NO2/c1-17(2,3)20-16(19)18-11-10-13-9-8-12-6-4-5-7-14(12)15(13)18/h4,6,8-11H,5,7H2,1-3H3
InChIKeyNGBSTSPCBSKDGB-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.38
Rot. Bonds

About tert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate

tert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate (PubChem CID 24766114) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate
PubChem CID24766114
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nametert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2ccc3c(c21)CCC=C3
InChIInChI=1S/C17H19NO2/c1-17(2,3)20-16(19)18-11-10-13-9-8-12-6-4-5-7-14(12)15(13)18/h4,6,8-11H,5,7H2,1-3H3
InChIKeyNGBSTSPCBSKDGB-UHFFFAOYSA-N
XLogP4.38
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-7-yl]boronic acid
CID 91274571
tert-butyl 7-chloropyrrolo[2,3-c]pyridine-1-carboxylate
CID 155294375
1-[(2-methylpropan-2-yl)oxycarbonyl]indole-6-carboxylic acid
CID 22344502
tert-butyl 5-methoxy-7-methylindole-1-carboxylate
CID 100913508
tert-butyl furo[3,4-b]pyrrole-1-carboxylate
CID 168870620
tert-butyl 7-fluoro-5-iodoindole-1-carboxylate
CID 66802356
tert-butyl 5-carbamothioylindole-1-carboxylate
CID 76846579
tert-butyl 2,4-dichloropyrrolo[3,2-d]pyrimidine-5-carboxylate
CID 71304622
methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate
CID 14567363
tert-butyl 5-(sulfanylcarbamoyl)indole-1-carboxylate
CID 91479013
tert-butyl 7-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]indole-1-carboxylate
CID 69367584
tert-butyl 6-(hydroxymethyl)indole-1-carboxylate
CID 23560816

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate?
The IUPAC name of tert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate (CID 24766114) is tert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate?
The canonical SMILES for tert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate is CC(C)(C)OC(=O)n1ccc2ccc3c(c21)CCC=C3.
What is the InChIKey of tert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate?
The InChIKey is NGBSTSPCBSKDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2,3)20-16(19)18-11-10-13-9-8-12-6-4-5-7-14(12)15(13)18/h4,6,8-11H,5,7H2,1-3H3.
What are the key properties of tert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate?
tert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate is sourced from PubChem (CID 24766114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).