(3-methylindol-3-yl) formate

C10H9NO2 — CID 164787795

IUPAC(3-methylindol-3-yl) formate
SMILESCC1(OC=O)C=Nc2ccccc21
InChIInChI=1S/C10H9NO2/c1-10(13-7-12)6-11-9-5-3-2-4-8(9)10/h2-7H,1H3
InChIKeyIDTKNTJHXOMUEX-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.79
Rot. Bonds2

About (3-methylindol-3-yl) formate

(3-methylindol-3-yl) formate (PubChem CID 164787795) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is (3-methylindol-3-yl) formate.

Molecular Properties

Compound Name(3-methylindol-3-yl) formate
PubChem CID164787795
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name(3-methylindol-3-yl) formate
SMILESCC1(OC=O)C=Nc2ccccc21
InChIInChI=1S/C10H9NO2/c1-10(13-7-12)6-11-9-5-3-2-4-8(9)10/h2-7H,1H3
InChIKeyIDTKNTJHXOMUEX-UHFFFAOYSA-N
XLogP1.79
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenylindole-3-carbaldehyde
CID 175244299
3,3-dimethyl-1,5-benzodiazepine
CID 67559989
3-[chloro(fluoro)methyl]-3-methylindole
CID 12518968
3,3-difluoroindole;hydrochloride
CID 172824632
3-bromoindol-3-ol
CID 68520694
2-(3-formylindol-3-yl)acetic acid
CID 135207400
3-isothiocyanato-3-methylindole
CID 146425198
(3-iodoindol-3-yl)-trimethylazanium
CID 174515957
(3-hydroxyindol-3-yl) hydrogen sulfate
CID 174968996
4-(3-methylindol-3-yl)butanoic acid
CID 176812630
3-[3-(dimethylamino)propylsulfanyl]indole-3-carbaldehyde
CID 154367899
2,3-dimethylindole-3-carbaldehyde
CID 174957699

Frequently Asked Questions

What is the IUPAC name of (3-methylindol-3-yl) formate?
The IUPAC name of (3-methylindol-3-yl) formate (CID 164787795) is (3-methylindol-3-yl) formate.
What is the SMILES notation for (3-methylindol-3-yl) formate?
The canonical SMILES for (3-methylindol-3-yl) formate is CC1(OC=O)C=Nc2ccccc21.
What is the InChIKey of (3-methylindol-3-yl) formate?
The InChIKey is IDTKNTJHXOMUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-10(13-7-12)6-11-9-5-3-2-4-8(9)10/h2-7H,1H3.
What are the key properties of (3-methylindol-3-yl) formate?
(3-methylindol-3-yl) formate has a molecular weight of 175.19 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylindol-3-yl) formate is sourced from PubChem (CID 164787795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).