2-(5-methyl-1H-indol-3-yl)ethyl formate

C12H13NO2 — CID 174764369

IUPAC2-(5-methyl-1H-indol-3-yl)ethyl formate
SMILESCc1ccc2[nH]cc(CCOC=O)c2c1
InChIInChI=1S/C12H13NO2/c1-9-2-3-12-11(6-9)10(7-13-12)4-5-15-8-14/h2-3,6-8,13H,4-5H2,1H3
InChIKeyMKSPUVHSJLBLJZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.19
Rot. Bonds4

About 2-(5-methyl-1H-indol-3-yl)ethyl formate

2-(5-methyl-1H-indol-3-yl)ethyl formate (PubChem CID 174764369) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(5-methyl-1H-indol-3-yl)ethyl formate.

Molecular Properties

Compound Name2-(5-methyl-1H-indol-3-yl)ethyl formate
PubChem CID174764369
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(5-methyl-1H-indol-3-yl)ethyl formate
SMILESCc1ccc2[nH]cc(CCOC=O)c2c1
InChIInChI=1S/C12H13NO2/c1-9-2-3-12-11(6-9)10(7-13-12)4-5-15-8-14/h2-3,6-8,13H,4-5H2,1H3
InChIKeyMKSPUVHSJLBLJZ-UHFFFAOYSA-N
XLogP2.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-1H-indol-3-yl)ethyl methanesulfonate
CID 86602334
3-(3-methoxypropyl)-5-methyl-1H-indole
CID 66596207
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 23815452
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
2,6-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271734
4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one
CID 139258716
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole
CID 19848863
3-[(2-fluorophenoxy)methyl]-5-methyl-1H-indole
CID 117185110
N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide
CID 17066776
2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271778
5-chloro-2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 2988910

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-indol-3-yl)ethyl formate?
The IUPAC name of 2-(5-methyl-1H-indol-3-yl)ethyl formate (CID 174764369) is 2-(5-methyl-1H-indol-3-yl)ethyl formate.
What is the SMILES notation for 2-(5-methyl-1H-indol-3-yl)ethyl formate?
The canonical SMILES for 2-(5-methyl-1H-indol-3-yl)ethyl formate is Cc1ccc2[nH]cc(CCOC=O)c2c1.
What is the InChIKey of 2-(5-methyl-1H-indol-3-yl)ethyl formate?
The InChIKey is MKSPUVHSJLBLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-2-3-12-11(6-9)10(7-13-12)4-5-15-8-14/h2-3,6-8,13H,4-5H2,1H3.
What are the key properties of 2-(5-methyl-1H-indol-3-yl)ethyl formate?
2-(5-methyl-1H-indol-3-yl)ethyl formate has a molecular weight of 203.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-indol-3-yl)ethyl formate is sourced from PubChem (CID 174764369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).