methyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate

C15H18N2O4 — CID 156698526

IUPACmethyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(n2cc3c(n2)CCC2(C3)OC=CO2)C1
InChIInChI=1S/C15H18N2O4/c1-19-14(18)10-6-12(7-10)17-9-11-8-15(20-4-5-21-15)3-2-13(11)16-17/h4-5,9-10,12H,2-3,6-8H2,1H3
InChIKeyODXIKCXROHOMMW-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.71
Rot. Bonds2

About methyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate

methyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate (PubChem CID 156698526) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate
PubChem CID156698526
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(n2cc3c(n2)CCC2(C3)OC=CO2)C1
InChIInChI=1S/C15H18N2O4/c1-19-14(18)10-6-12(7-10)17-9-11-8-15(20-4-5-21-15)3-2-13(11)16-17/h4-5,9-10,12H,2-3,6-8H2,1H3
InChIKeyODXIKCXROHOMMW-UHFFFAOYSA-N
XLogP1.71
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-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 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate?
The IUPAC name of methyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate (CID 156698526) is methyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate is COC(=O)C1CC(n2cc3c(n2)CCC2(C3)OC=CO2)C1.
What is the InChIKey of methyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate?
The InChIKey is ODXIKCXROHOMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-19-14(18)10-6-12(7-10)17-9-11-8-15(20-4-5-21-15)3-2-13(11)16-17/h4-5,9-10,12H,2-3,6-8H2,1H3.
What are the key properties of methyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate?
methyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-spiro[1,3-dioxole-2,5'-6,7-dihydro-4H-indazole]-2'-ylcyclobutane-1-carboxylate is sourced from PubChem (CID 156698526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).