ethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate

C16H17NO3 — CID 651139

IUPACethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C16H17NO3/c1-2-20-15(18)10-17-9-13(16(19)11-7-8-11)12-5-3-4-6-14(12)17/h3-6,9,11H,2,7-8,10H2,1H3
InChIKeyJLVKOYSKAUUDHY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.80
Rot. Bonds5

About ethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate

ethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate (PubChem CID 651139) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate
PubChem CID651139
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C16H17NO3/c1-2-20-15(18)10-17-9-13(16(19)11-7-8-11)12-5-3-4-6-14(12)17/h3-6,9,11H,2,7-8,10H2,1H3
InChIKeyJLVKOYSKAUUDHY-UHFFFAOYSA-N
XLogP2.80
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Jwh-200
CID 10045570
Xlr 11
CID 57501498
(1-(2-(4-Morpholinyl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11584525
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-694
CID 9889172
1-methoxy-1H-indole-3-carbaldehyde
CID 398554
(1-((Tetrahydro-2H-pyran-4-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11544639
L-Valine, N-((1-(5-fluoropentyl)-1H-indol-3-yl)carbonyl)-3-methyl-, methyl ester
CID 129597835
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
[1-[(1-Methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11537652
Indole, 3-(dimethylaminoacetyl)-
CID 34863
1-Methyl-1H-indole-3-carbaldehyde
CID 87894

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate (CID 651139) is ethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate is CCOC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21.
What is the InChIKey of ethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate?
The InChIKey is JLVKOYSKAUUDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-20-15(18)10-17-9-13(16(19)11-7-8-11)12-5-3-4-6-14(12)17/h3-6,9,11H,2,7-8,10H2,1H3.
What are the key properties of ethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate?
ethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate has a molecular weight of 271.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate is sourced from PubChem (CID 651139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).