methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate

C13H11NO3 — CID 134303472

IUPACmethyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate
SMILESCOC(=O)C1Cc2cc3ccccc3n2C1=O
InChIInChI=1S/C13H11NO3/c1-17-13(16)10-7-9-6-8-4-2-3-5-11(8)14(9)12(10)15/h2-6,10H,7H2,1H3
InChIKeyTZEHJIBSXWZKRE-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.63
Rot. Bonds1

About methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate

methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate (PubChem CID 134303472) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate
PubChem CID134303472
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Namemethyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate
SMILESCOC(=O)C1Cc2cc3ccccc3n2C1=O
InChIInChI=1S/C13H11NO3/c1-17-13(16)10-7-9-6-8-4-2-3-5-11(8)14(9)12(10)15/h2-6,10H,7H2,1H3
InChIKeyTZEHJIBSXWZKRE-UHFFFAOYSA-N
XLogP1.63
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate?
The IUPAC name of methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate (CID 134303472) is methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate.
What is the SMILES notation for methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate?
The canonical SMILES for methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate is COC(=O)C1Cc2cc3ccccc3n2C1=O.
What is the InChIKey of methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate?
The InChIKey is TZEHJIBSXWZKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-13(16)10-7-9-6-8-4-2-3-5-11(8)14(9)12(10)15/h2-6,10H,7H2,1H3.
What are the key properties of methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate?
methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate has a molecular weight of 229.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate is sourced from PubChem (CID 134303472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).