methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate

C26H31NO2 — CID 59416819

IUPACmethyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1
InChIInChI=1S/C26H31NO2/c1-25(24(28)29-2)13-14-27(18-25)22-11-12-26(17-22)16-21-9-4-3-7-19(21)15-20-8-5-6-10-23(20)26/h3-10,22H,11-18H2,1-2H3
InChIKeyBALILERJIKLTBA-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.51
Rot. Bonds2

About methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate

methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate (PubChem CID 59416819) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate
PubChem CID59416819
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Namemethyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1
InChIInChI=1S/C26H31NO2/c1-25(24(28)29-2)13-14-27(18-25)22-11-12-26(17-22)16-21-9-4-3-7-19(21)15-20-8-5-6-10-23(20)26/h3-10,22H,11-18H2,1-2H3
InChIKeyBALILERJIKLTBA-UHFFFAOYSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate (CID 59416819) is methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate is COC(=O)C1(C)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1.
What is the InChIKey of methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate?
The InChIKey is BALILERJIKLTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-25(24(28)29-2)13-14-27(18-25)22-11-12-26(17-22)16-21-9-4-3-7-19(21)15-20-8-5-6-10-23(20)26/h3-10,22H,11-18H2,1-2H3.
What are the key properties of methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate?
methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate has a molecular weight of 389.54 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 59416819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).