methyl 5,6-dihydroindole-1-carboxylate

C10H11NO2 — CID 129208479

IUPACmethyl 5,6-dihydroindole-1-carboxylate
SMILESCOC(=O)n1ccc2c1=CCCC=2
InChIInChI=1S/C10H11NO2/c1-13-10(12)11-7-6-8-4-2-3-5-9(8)11/h4-7H,2-3H2,1H3
InChIKeyFSTVRLBLFFTTCX-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.46
Rot. Bonds

About methyl 5,6-dihydroindole-1-carboxylate

methyl 5,6-dihydroindole-1-carboxylate (PubChem CID 129208479) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl 5,6-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dihydroindole-1-carboxylate
PubChem CID129208479
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl 5,6-dihydroindole-1-carboxylate
SMILESCOC(=O)n1ccc2c1=CCCC=2
InChIInChI=1S/C10H11NO2/c1-13-10(12)11-7-6-8-4-2-3-5-9(8)11/h4-7H,2-3H2,1H3
InChIKeyFSTVRLBLFFTTCX-UHFFFAOYSA-N
XLogP0.46
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dihydroindole-1-carboxylate?
The IUPAC name of methyl 5,6-dihydroindole-1-carboxylate (CID 129208479) is methyl 5,6-dihydroindole-1-carboxylate.
What is the SMILES notation for methyl 5,6-dihydroindole-1-carboxylate?
The canonical SMILES for methyl 5,6-dihydroindole-1-carboxylate is COC(=O)n1ccc2c1=CCCC=2.
What is the InChIKey of methyl 5,6-dihydroindole-1-carboxylate?
The InChIKey is FSTVRLBLFFTTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10(12)11-7-6-8-4-2-3-5-9(8)11/h4-7H,2-3H2,1H3.
What are the key properties of methyl 5,6-dihydroindole-1-carboxylate?
methyl 5,6-dihydroindole-1-carboxylate has a molecular weight of 177.20 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dihydroindole-1-carboxylate is sourced from PubChem (CID 129208479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).