methyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate

C10H11NO3 — CID 15273867

IUPACmethyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate
SMILESCOC(=O)C1CNc2cc(O)ccc21
InChIInChI=1S/C10H11NO3/c1-14-10(13)8-5-11-9-4-6(12)2-3-7(8)9/h2-4,8,11-12H,5H2,1H3
InChIKeyBKGHKBSHDHOUEK-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.07
Rot. Bonds1

About methyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate

methyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate (PubChem CID 15273867) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate
PubChem CID15273867
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate
SMILESCOC(=O)C1CNc2cc(O)ccc21
InChIInChI=1S/C10H11NO3/c1-14-10(13)8-5-11-9-4-6(12)2-3-7(8)9/h2-4,8,11-12H,5H2,1H3
InChIKeyBKGHKBSHDHOUEK-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate?
The IUPAC name of methyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate (CID 15273867) is methyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate?
The canonical SMILES for methyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate is COC(=O)C1CNc2cc(O)ccc21.
What is the InChIKey of methyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate?
The InChIKey is BKGHKBSHDHOUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-10(13)8-5-11-9-4-6(12)2-3-7(8)9/h2-4,8,11-12H,5H2,1H3.
What are the key properties of methyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate?
methyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-2,3-dihydro-1H-indole-3-carboxylate is sourced from PubChem (CID 15273867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).