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

C15H15NO3 — CID 963193

IUPACmethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C15H15NO3/c1-19-14(17)9-16-8-12(15(18)10-6-7-10)11-4-2-3-5-13(11)16/h2-5,8,10H,6-7,9H2,1H3
InChIKeyNGDIVNMPHRPLTR-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.41
Rot. Bonds4

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

methyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate (PubChem CID 963193) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate
PubChem CID963193
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C15H15NO3/c1-19-14(17)9-16-8-12(15(18)10-6-7-10)11-4-2-3-5-13(11)16/h2-5,8,10H,6-7,9H2,1H3
InChIKeyNGDIVNMPHRPLTR-UHFFFAOYSA-N
XLogP2.41
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-Acetylindole
CID 12802
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 methyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate?
The IUPAC name of methyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate (CID 963193) is methyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate is COC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21.
What is the InChIKey of methyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate?
The InChIKey is NGDIVNMPHRPLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-14(17)9-16-8-12(15(18)10-6-7-10)11-4-2-3-5-13(11)16/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of methyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate?
methyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate has a molecular weight of 257.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetate is sourced from PubChem (CID 963193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).