1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]

C13H20N2O2 — CID 118578676

IUPAC1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]
SMILESCCc1nn(CC)c2c1CC1(CC2)OCCO1
InChIInChI=1S/C13H20N2O2/c1-3-11-10-9-13(16-7-8-17-13)6-5-12(10)15(4-2)14-11/h3-9H2,1-2H3
InChIKeyOOTIGDCYFINFNY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.70
Rot. Bonds2

About 1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]

1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] (PubChem CID 118578676) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole].

Molecular Properties

Compound Name1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]
PubChem CID118578676
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]
SMILESCCc1nn(CC)c2c1CC1(CC2)OCCO1
InChIInChI=1S/C13H20N2O2/c1-3-11-10-9-13(16-7-8-17-13)6-5-12(10)15(4-2)14-11/h3-9H2,1-2H3
InChIKeyOOTIGDCYFINFNY-UHFFFAOYSA-N
XLogP1.70
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] 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 1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]?
The IUPAC name of 1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] (CID 118578676) is 1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole].
What is the SMILES notation for 1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]?
The canonical SMILES for 1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] is CCc1nn(CC)c2c1CC1(CC2)OCCO1.
What is the InChIKey of 1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]?
The InChIKey is OOTIGDCYFINFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-11-10-9-13(16-7-8-17-13)6-5-12(10)15(4-2)14-11/h3-9H2,1-2H3.
What are the key properties of 1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]?
1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] has a molecular weight of 236.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3'-diethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] is sourced from PubChem (CID 118578676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).