2-(2,3-dihydroindol-1-yl)ethyl acetate

C12H15NO2 — CID 174450799

IUPAC2-(2,3-dihydroindol-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-10(14)15-9-8-13-7-6-11-4-2-3-5-12(11)13/h2-5H,6-9H2,1H3
InChIKeyORXXPBLVYNUUNS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.61
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)ethyl acetate

2-(2,3-dihydroindol-1-yl)ethyl acetate (PubChem CID 174450799) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)ethyl acetate
PubChem CID174450799
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(2,3-dihydroindol-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-10(14)15-9-8-13-7-6-11-4-2-3-5-12(11)13/h2-5H,6-9H2,1H3
InChIKeyORXXPBLVYNUUNS-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydroindol-1-yl)ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate
CID 167892135
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1-butyl-2,3-dihydroindole
CID 4167209
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethoxy]phenyl]acetamide
CID 71912035

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)ethyl acetate?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)ethyl acetate (CID 174450799) is 2-(2,3-dihydroindol-1-yl)ethyl acetate.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)ethyl acetate?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)ethyl acetate is CC(=O)OCCN1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)ethyl acetate?
The InChIKey is ORXXPBLVYNUUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(14)15-9-8-13-7-6-11-4-2-3-5-12(11)13/h2-5H,6-9H2,1H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)ethyl acetate?
2-(2,3-dihydroindol-1-yl)ethyl acetate has a molecular weight of 205.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)ethyl acetate is sourced from PubChem (CID 174450799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).