ethyl indeno[2,1-b]pyrrole-8-carboxylate

C14H11NO2 — CID 141282379

IUPACethyl indeno[2,1-b]pyrrole-8-carboxylate
SMILESCCOC(=O)c1cccc2c1=C1C=CN=C1C=2
InChIInChI=1S/C14H11NO2/c1-2-17-14(16)11-5-3-4-9-8-12-10(13(9)11)6-7-15-12/h3-8H,2H2,1H3
InChIKeyRQRZSYWQASJQBJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.78
Rot. Bonds2

About ethyl indeno[2,1-b]pyrrole-8-carboxylate

ethyl indeno[2,1-b]pyrrole-8-carboxylate (PubChem CID 141282379) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl indeno[2,1-b]pyrrole-8-carboxylate.

Molecular Properties

Compound Nameethyl indeno[2,1-b]pyrrole-8-carboxylate
PubChem CID141282379
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Nameethyl indeno[2,1-b]pyrrole-8-carboxylate
SMILESCCOC(=O)c1cccc2c1=C1C=CN=C1C=2
InChIInChI=1S/C14H11NO2/c1-2-17-14(16)11-5-3-4-9-8-12-10(13(9)11)6-7-15-12/h3-8H,2H2,1H3
InChIKeyRQRZSYWQASJQBJ-UHFFFAOYSA-N
XLogP0.78
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Butyl benzo[c][1]benzazocine-9-carboxylate
CID 90942501
Methyl pyrrolo[3,2-e]indole-1-carboxylate
CID 140982585
Methyl 6-oxidopyrrolo[3,2-e]indol-6-ium-1-carboxylate
CID 140982595
Methyl cyclohepta[f]indole-3-carboxylate
CID 141366427
ethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate
CID 150800086
methyl 9H-1-benzazepine-8-carboxylate
CID 151069100
Methyl 1-benzazocine-5-carboxylate
CID 154340500
Ethyl 2-oxobenzimidazole-4-carboxylate
CID 174661181
tert-butyl 5H-indole-3-carboxylate
CID 175285390
methyl (2R)-2-methyl-2H-indole-4-carboxylate
CID 125421363
methyl (2S)-2-methyl-2H-indole-4-carboxylate
CID 125421364
4-ethoxycarbonyl-2H-indole-6-carboxylic acid
CID 129601466

Frequently Asked Questions

What is the IUPAC name of ethyl indeno[2,1-b]pyrrole-8-carboxylate?
The IUPAC name of ethyl indeno[2,1-b]pyrrole-8-carboxylate (CID 141282379) is ethyl indeno[2,1-b]pyrrole-8-carboxylate.
What is the SMILES notation for ethyl indeno[2,1-b]pyrrole-8-carboxylate?
The canonical SMILES for ethyl indeno[2,1-b]pyrrole-8-carboxylate is CCOC(=O)c1cccc2c1=C1C=CN=C1C=2.
What is the InChIKey of ethyl indeno[2,1-b]pyrrole-8-carboxylate?
The InChIKey is RQRZSYWQASJQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-2-17-14(16)11-5-3-4-9-8-12-10(13(9)11)6-7-15-12/h3-8H,2H2,1H3.
What are the key properties of ethyl indeno[2,1-b]pyrrole-8-carboxylate?
ethyl indeno[2,1-b]pyrrole-8-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl indeno[2,1-b]pyrrole-8-carboxylate is sourced from PubChem (CID 141282379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).