(1-ethylindol-5-yl) acetate

C12H13NO2 — CID 57170525

IUPAC(1-ethylindol-5-yl) acetate
SMILESCCn1ccc2cc(OC(C)=O)ccc21
InChIInChI=1S/C12H13NO2/c1-3-13-7-6-10-8-11(15-9(2)14)4-5-12(10)13/h4-8H,3H2,1-2H3
InChIKeyRBJDSYUCHPZMQY-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.59
Rot. Bonds2

About (1-ethylindol-5-yl) acetate

(1-ethylindol-5-yl) acetate (PubChem CID 57170525) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (1-ethylindol-5-yl) acetate.

Molecular Properties

Compound Name(1-ethylindol-5-yl) acetate
PubChem CID57170525
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(1-ethylindol-5-yl) acetate
SMILESCCn1ccc2cc(OC(C)=O)ccc21
InChIInChI=1S/C12H13NO2/c1-3-13-7-6-10-8-11(15-9(2)14)4-5-12(10)13/h4-8H,3H2,1-2H3
InChIKeyRBJDSYUCHPZMQY-UHFFFAOYSA-N
XLogP2.59
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-ethylindol-5-yl) hypoiodite
CID 23151406
CID 69068244
CID 69068244
(1-ethylindol-5-yl) 2-chloroethaneperoxoate
CID 57304772
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate
CID 10496894
[1-[(4-chloro-3-iodophenyl)methyl]indol-5-yl] acetate;ethyl formate
CID 174443863
5-cyclopentyloxy-1-ethylindole
CID 57315298
1-(1-ethylindol-5-yl)butan-1-one
CID 71284644
3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one
CID 80643678
2-[5-(dimethylcarbamothioyloxy)indol-1-yl]acetic acid
CID 22504941
1-ethyl-5-[(4-methylphenyl)methoxy]indole
CID 141116248
(Z)-4-(5-ethoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 80643016
4-(5-methoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 77074701

Frequently Asked Questions

What is the IUPAC name of (1-ethylindol-5-yl) acetate?
The IUPAC name of (1-ethylindol-5-yl) acetate (CID 57170525) is (1-ethylindol-5-yl) acetate.
What is the SMILES notation for (1-ethylindol-5-yl) acetate?
The canonical SMILES for (1-ethylindol-5-yl) acetate is CCn1ccc2cc(OC(C)=O)ccc21.
What is the InChIKey of (1-ethylindol-5-yl) acetate?
The InChIKey is RBJDSYUCHPZMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-13-7-6-10-8-11(15-9(2)14)4-5-12(10)13/h4-8H,3H2,1-2H3.
What are the key properties of (1-ethylindol-5-yl) acetate?
(1-ethylindol-5-yl) acetate has a molecular weight of 203.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylindol-5-yl) acetate is sourced from PubChem (CID 57170525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).