methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate

C16H19NO3 — CID 90128387

IUPACmethyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate
SMILESCOCCn1cc(C2CC2)c2cc(C(=O)OC)ccc21
InChIInChI=1S/C16H19NO3/c1-19-8-7-17-10-14(11-3-4-11)13-9-12(16(18)20-2)5-6-15(13)17/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyUOXPLZMGSYMMLU-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.95
Rot. Bonds5

About methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate

methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate (PubChem CID 90128387) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate
PubChem CID90128387
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate
SMILESCOCCn1cc(C2CC2)c2cc(C(=O)OC)ccc21
InChIInChI=1S/C16H19NO3/c1-19-8-7-17-10-14(11-3-4-11)13-9-12(16(18)20-2)5-6-15(13)17/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyUOXPLZMGSYMMLU-UHFFFAOYSA-N
XLogP2.95
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate (CID 90128387) is methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate is COCCn1cc(C2CC2)c2cc(C(=O)OC)ccc21.
What is the InChIKey of methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate?
The InChIKey is UOXPLZMGSYMMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-8-7-17-10-14(11-3-4-11)13-9-12(16(18)20-2)5-6-15(13)17/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate?
methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate is sourced from PubChem (CID 90128387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).