methyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate

C14H13NO3 — CID 131875296

IUPACmethyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate
SMILESCOC(=O)C1Cn2c(cc3ccc(C)cc32)C1=O
InChIInChI=1S/C14H13NO3/c1-8-3-4-9-6-12-13(16)10(14(17)18-2)7-15(12)11(9)5-8/h3-6,10H,7H2,1-2H3
InChIKeyNHDFKTZABVBWOZ-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.94
Rot. Bonds1

About methyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate

methyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate (PubChem CID 131875296) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate
PubChem CID131875296
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate
SMILESCOC(=O)C1Cn2c(cc3ccc(C)cc32)C1=O
InChIInChI=1S/C14H13NO3/c1-8-3-4-9-6-12-13(16)10(14(17)18-2)7-15(12)11(9)5-8/h3-6,10H,7H2,1-2H3
InChIKeyNHDFKTZABVBWOZ-UHFFFAOYSA-N
XLogP1.94
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.94
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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Related Compounds

methyl 1-(2,5-dimethylphenyl)-4-oxopiperidine-3-carboxylate
CID 82090496
methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate
CID 134303472
methyl 1-(2,4-dimethylphenyl)aziridine-2-carboxylate
CID 117009891
(3R)-2-benzyl-N-cycloheptyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704259
(3R)-N-cycloheptyl-7-methoxy-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92720679
(3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739833
methyl (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075686
methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
CID 123511174
(3R)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-7-methoxy-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 93265861
8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249959
3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-ol
CID 115022303
methyl 1-(4-methylphenyl)sulfinylaziridine-2-carboxylate
CID 19067230

Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate?
The IUPAC name of methyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate (CID 131875296) is methyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate.
What is the SMILES notation for methyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate?
The canonical SMILES for methyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate is COC(=O)C1Cn2c(cc3ccc(C)cc32)C1=O.
What is the InChIKey of methyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate?
The InChIKey is NHDFKTZABVBWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-8-3-4-9-6-12-13(16)10(14(17)18-2)7-15(12)11(9)5-8/h3-6,10H,7H2,1-2H3.
What are the key properties of methyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate?
methyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate is sourced from PubChem (CID 131875296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).