methyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate

C12H8N2O3 — CID 142651340

IUPACmethyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate
SMILESCOC(=O)C1=CC2=C3C=CN=C3C(=O)CC2=N1
InChIInChI=1S/C12H8N2O3/c1-17-12(16)9-4-7-6-2-3-13-11(6)10(15)5-8(7)14-9/h2-4H,5H2,1H3
InChIKeyOOJLNYHGISLBQF-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.74
Rot. Bonds1

About methyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate

methyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate (PubChem CID 142651340) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is methyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate
PubChem CID142651340
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Namemethyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate
SMILESCOC(=O)C1=CC2=C3C=CN=C3C(=O)CC2=N1
InChIInChI=1S/C12H8N2O3/c1-17-12(16)9-4-7-6-2-3-13-11(6)10(15)5-8(7)14-9/h2-4H,5H2,1H3
InChIKeyOOJLNYHGISLBQF-UHFFFAOYSA-N
XLogP0.74
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 1-methyl-2H-pyrazine-3-carboxylate
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CID 123682913
methyl 7-amino-1H-indene-2-carboxylate
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methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate?
The IUPAC name of methyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate (CID 142651340) is methyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate.
What is the SMILES notation for methyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate?
The canonical SMILES for methyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate is COC(=O)C1=CC2=C3C=CN=C3C(=O)CC2=N1.
What is the InChIKey of methyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate?
The InChIKey is OOJLNYHGISLBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c1-17-12(16)9-4-7-6-2-3-13-11(6)10(15)5-8(7)14-9/h2-4H,5H2,1H3.
What are the key properties of methyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate?
methyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate has a molecular weight of 228.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-4H-pyrrolo[3,2-e]indole-2-carboxylate is sourced from PubChem (CID 142651340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).