tert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate

C21H22N2O2 — CID 57139114

IUPACtert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
SMILESCc1c(C(=O)OC(C)(C)C)[nH]c2cc3c([nH]c4ccccc43)c(C)c12
InChIInChI=1S/C21H22N2O2/c1-11-17-12(2)19(20(24)25-21(3,4)5)23-16(17)10-14-13-8-6-7-9-15(13)22-18(11)14/h6-10,22-23H,1-5H3
InChIKeyJXUYFGQAGXZDHB-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.37
Rot. Bonds1

About tert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate

tert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate (PubChem CID 57139114) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
PubChem CID57139114
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Nametert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
SMILESCc1c(C(=O)OC(C)(C)C)[nH]c2cc3c([nH]c4ccccc43)c(C)c12
InChIInChI=1S/C21H22N2O2/c1-11-17-12(2)19(20(24)25-21(3,4)5)23-16(17)10-14-13-8-6-7-9-15(13)22-18(11)14/h6-10,22-23H,1-5H3
InChIKeyJXUYFGQAGXZDHB-UHFFFAOYSA-N
XLogP5.37
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
ethyl 5-methyl-1H-indole-2-carboxylate
CID 232919
Ethyl indole-2-carboxylate
CID 73125
3H-Benzo[e]indole-2-carboxylic acid
CID 354966
ethyl 1H-benzo[f]indole-2-carboxylate
CID 848533
Ethyl 5-ethyl-1H-indole-2-carboxylate
CID 37610
Ethyl 3-Methylindole-2-carboxylate
CID 593963
methyl 6-methyl-1H-indole-2-carboxylate
CID 4715128
methyl 7-tert-butyl-9H-carbazole-3-carboxylate
CID 46244082
ethyl 5-carbamoyl-1H-indole-2-carboxylate
CID 47162079
isopropyl 1H-indole-2-carboxylate
CID 1233904
Ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-methylindole-2-carboxylate
CID 10860637

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The IUPAC name of tert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate (CID 57139114) is tert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate.
What is the SMILES notation for tert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The canonical SMILES for tert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate is Cc1c(C(=O)OC(C)(C)C)[nH]c2cc3c([nH]c4ccccc43)c(C)c12.
What is the InChIKey of tert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The InChIKey is JXUYFGQAGXZDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-11-17-12(2)19(20(24)25-21(3,4)5)23-16(17)10-14-13-8-6-7-9-15(13)22-18(11)14/h6-10,22-23H,1-5H3.
What are the key properties of tert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
tert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 5.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate is sourced from PubChem (CID 57139114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).