tert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate

C19H22N2O2 — CID 118907039

IUPACtert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate
SMILESCc1ccc2c(c1)c(-c1ccn(C(=O)OC(C)(C)C)c1)cn2C
InChIInChI=1S/C19H22N2O2/c1-13-6-7-17-15(10-13)16(12-20(17)5)14-8-9-21(11-14)18(22)23-19(2,3)4/h6-12H,1-5H3
InChIKeyDTICJYONEBGKBC-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.74
Rot. Bonds1

About tert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate

tert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate (PubChem CID 118907039) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate
PubChem CID118907039
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Nametert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate
SMILESCc1ccc2c(c1)c(-c1ccn(C(=O)OC(C)(C)C)c1)cn2C
InChIInChI=1S/C19H22N2O2/c1-13-6-7-17-15(10-13)16(12-20(17)5)14-8-9-21(11-14)18(22)23-19(2,3)4/h6-12H,1-5H3
InChIKeyDTICJYONEBGKBC-UHFFFAOYSA-N
XLogP4.74
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-thiophen-3-ylpyrrole-1-carboxylate
CID 59745641
tert-butyl 3-bromo-6-methylcarbazole-9-carboxylate
CID 21072274
(2S)-2-amino-3-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
CID 162691889
ethyl 2-(1,5-dimethylindol-3-yl)acetate
CID 84740898
tert-butyl 3-formyl-2,5-dimethylindole-1-carboxylate
CID 118084216
tert-butyl 3-(hydroxymethyl)pyrrole-1-carboxylate
CID 10821751
[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-3-yl]boronic acid
CID 18450544
tert-butyl N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate
CID 10137433
N,1,5-trimethylindole-3-carboxamide
CID 25149961
tert-butyl N-(1,3-dimethylindol-5-yl)carbamate
CID 90162227
tert-butyl 3-amino-6-methylindazole-1-carboxylate
CID 71659334
tert-butyl 3-(methanesulfonamido)pyrrole-1-carboxylate
CID 175545079

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate (CID 118907039) is tert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate is Cc1ccc2c(c1)c(-c1ccn(C(=O)OC(C)(C)C)c1)cn2C.
What is the InChIKey of tert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate?
The InChIKey is DTICJYONEBGKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-6-7-17-15(10-13)16(12-20(17)5)14-8-9-21(11-14)18(22)23-19(2,3)4/h6-12H,1-5H3.
What are the key properties of tert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate?
tert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1,5-dimethylindol-3-yl)pyrrole-1-carboxylate is sourced from PubChem (CID 118907039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).