methyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate

C10H11NO3 — CID 84664570

IUPACmethyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate
SMILESCOC(=O)c1ccc(O)c2c1CCN2
InChIInChI=1S/C10H11NO3/c1-14-10(13)7-2-3-8(12)9-6(7)4-5-11-9/h2-3,11-12H,4-5H2,1H3
InChIKeyJZNBIAVGXWMRPF-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.15
Rot. Bonds1

About methyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate

methyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate (PubChem CID 84664570) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate
PubChem CID84664570
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate
SMILESCOC(=O)c1ccc(O)c2c1CCN2
InChIInChI=1S/C10H11NO3/c1-14-10(13)7-2-3-8(12)9-6(7)4-5-11-9/h2-3,11-12H,4-5H2,1H3
InChIKeyJZNBIAVGXWMRPF-UHFFFAOYSA-N
XLogP1.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 82402887
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride
CID 170918020
methyl 7-methoxy-1-oxo-3,4-dihydro-2H-isoquinoline-5-carboxylate
CID 66973477
methyl 8-bromo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylate
CID 175626088
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 7-methyl-1-oxo-2,3-dihydroisoindole-4-carboxylate
CID 162342423
methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate
CID 166806898
methyl 2-amino-4-hydroxy-3-methylbenzoate
CID 131285630

Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate?
The IUPAC name of methyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate (CID 84664570) is methyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate?
The canonical SMILES for methyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate is COC(=O)c1ccc(O)c2c1CCN2.
What is the InChIKey of methyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate?
The InChIKey is JZNBIAVGXWMRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-10(13)7-2-3-8(12)9-6(7)4-5-11-9/h2-3,11-12H,4-5H2,1H3.
What are the key properties of methyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate?
methyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate is sourced from PubChem (CID 84664570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).