methyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate

C20H23NO4 — CID 25411191

IUPACmethyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate
SMILESCOC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)C3CCCC3)cc12
InChIInChI=1S/C20H23NO4/c1-12-18(20(23)24-2)16-11-15(25-19(22)13-5-3-4-6-13)9-10-17(16)21(12)14-7-8-14/h9-11,13-14H,3-8H2,1-2H3
InChIKeyCBPDFUYGXFHIAF-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.17
Rot. Bonds4

About methyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate

methyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate (PubChem CID 25411191) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate
PubChem CID25411191
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate
SMILESCOC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)C3CCCC3)cc12
InChIInChI=1S/C20H23NO4/c1-12-18(20(23)24-2)16-11-15(25-19(22)13-5-3-4-6-13)9-10-17(16)21(12)14-7-8-14/h9-11,13-14H,3-8H2,1-2H3
InChIKeyCBPDFUYGXFHIAF-UHFFFAOYSA-N
XLogP4.17
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(1-cyanocyclohexanecarbonyl)oxy-1-cyclopropyl-2-methylindole-3-carboxylate
CID 60583948
1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate
CID 6954360
3-oxobutan-2-yl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
CID 18281159
2-methoxyethyl 5-(cyclopropanecarbonyloxy)-1,2-dimethylindole-3-carboxylate
CID 666647
1-cyclohexyl-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide
CID 110878033
1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide
CID 112820627
1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide
CID 112771381
1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide
CID 112772126
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
CID 16603174
1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide
CID 112795503
prop-2-ynyl (E)-4-[(1-cyclopentyl-5-methoxy-2-methylindole-3-carbonyl)amino]but-2-enoate
CID 118669171
ethyl 1-cyclohexyl-2-methyl-5-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]indole-3-carboxylate
CID 11281456

Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate?
The IUPAC name of methyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate (CID 25411191) is methyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate.
What is the SMILES notation for methyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate?
The canonical SMILES for methyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate is COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)C3CCCC3)cc12.
What is the InChIKey of methyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate?
The InChIKey is CBPDFUYGXFHIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-12-18(20(23)24-2)16-11-15(25-19(22)13-5-3-4-6-13)9-10-17(16)21(12)14-7-8-14/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of methyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate?
methyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclopentanecarbonyloxy)-1-cyclopropyl-2-methylindole-3-carboxylate is sourced from PubChem (CID 25411191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).