methyl pyrrolo[3,2-e]indole-1-carboxylate

C12H8N2O2 — CID 140982585

IUPACmethyl pyrrolo[3,2-e]indole-1-carboxylate
SMILESCOC(=O)C1=CN=c2ccc3c(c21)C=CN=3
InChIInChI=1S/C12H8N2O2/c1-16-12(15)8-6-14-10-3-2-9-7(11(8)10)4-5-13-9/h2-6H,1H3
InChIKeyFVQYDLXUTOTHJE-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.44
Rot. Bonds1

About methyl pyrrolo[3,2-e]indole-1-carboxylate

methyl pyrrolo[3,2-e]indole-1-carboxylate (PubChem CID 140982585) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is methyl pyrrolo[3,2-e]indole-1-carboxylate.

Molecular Properties

Compound Namemethyl pyrrolo[3,2-e]indole-1-carboxylate
PubChem CID140982585
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Namemethyl pyrrolo[3,2-e]indole-1-carboxylate
SMILESCOC(=O)C1=CN=c2ccc3c(c21)C=CN=3
InChIInChI=1S/C12H8N2O2/c1-16-12(15)8-6-14-10-3-2-9-7(11(8)10)4-5-13-9/h2-6H,1H3
InChIKeyFVQYDLXUTOTHJE-UHFFFAOYSA-N
XLogP0.44
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

methyl 7H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 97291877
Methyl 6-oxidopyrrolo[3,2-e]indol-6-ium-1-carboxylate
CID 140982595
Ethyl indeno[2,1-b]pyrrole-8-carboxylate
CID 141282379
Methyl cyclohepta[f]indole-3-carboxylate
CID 141366427
methyl 4H-cyclohepta[b]pyridine-3-carboxylate
CID 141366480
Pyrrolo[3,2-e]indole-1-carboxylic acid
CID 142651351
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
methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate
CID 144503759

Frequently Asked Questions

What is the IUPAC name of methyl pyrrolo[3,2-e]indole-1-carboxylate?
The IUPAC name of methyl pyrrolo[3,2-e]indole-1-carboxylate (CID 140982585) is methyl pyrrolo[3,2-e]indole-1-carboxylate.
What is the SMILES notation for methyl pyrrolo[3,2-e]indole-1-carboxylate?
The canonical SMILES for methyl pyrrolo[3,2-e]indole-1-carboxylate is COC(=O)C1=CN=c2ccc3c(c21)C=CN=3.
What is the InChIKey of methyl pyrrolo[3,2-e]indole-1-carboxylate?
The InChIKey is FVQYDLXUTOTHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c1-16-12(15)8-6-14-10-3-2-9-7(11(8)10)4-5-13-9/h2-6H,1H3.
What are the key properties of methyl pyrrolo[3,2-e]indole-1-carboxylate?
methyl pyrrolo[3,2-e]indole-1-carboxylate has a molecular weight of 212.21 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyrrolo[3,2-e]indole-1-carboxylate is sourced from PubChem (CID 140982585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).