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

C24H27NO2 — CID 59416843

IUPACmethyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate
SMILESCOC(=O)C1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1
InChIInChI=1S/C24H27NO2/c1-27-23(26)20-15-25(16-20)21-10-11-24(14-21)13-19-8-3-2-6-17(19)12-18-7-4-5-9-22(18)24/h2-9,20-21H,10-16H2,1H3
InChIKeyPBXDVDCONHOVMN-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.73
Rot. Bonds2

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

methyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate (PubChem CID 59416843) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is methyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate
PubChem CID59416843
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Namemethyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate
SMILESCOC(=O)C1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1
InChIInChI=1S/C24H27NO2/c1-27-23(26)20-15-25(16-20)21-10-11-24(14-21)13-19-8-3-2-6-17(19)12-18-7-4-5-9-22(18)24/h2-9,20-21H,10-16H2,1H3
InChIKeyPBXDVDCONHOVMN-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate?
The IUPAC name of methyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate (CID 59416843) is methyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate.
What is the SMILES notation for methyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate?
The canonical SMILES for methyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate is COC(=O)C1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1.
What is the InChIKey of methyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate?
The InChIKey is PBXDVDCONHOVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-27-23(26)20-15-25(16-20)21-10-11-24(14-21)13-19-8-3-2-6-17(19)12-18-7-4-5-9-22(18)24/h2-9,20-21H,10-16H2,1H3.
What are the key properties of methyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate?
methyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate is sourced from PubChem (CID 59416843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).