2-propyl-[1,3]dioxolo[4,5-f]indazole

C11H12N2O2 — CID 71342052

IUPAC2-propyl-[1,3]dioxolo[4,5-f]indazole
SMILESCCCn1cc2cc3c(cc2n1)OCO3
InChIInChI=1S/C11H12N2O2/c1-2-3-13-6-8-4-10-11(15-7-14-10)5-9(8)12-13/h4-6H,2-3,7H2,1H3
InChIKeyXHQLZYWAIPGFSG-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.17
Rot. Bonds2

About 2-propyl-[1,3]dioxolo[4,5-f]indazole

2-propyl-[1,3]dioxolo[4,5-f]indazole (PubChem CID 71342052) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-propyl-[1,3]dioxolo[4,5-f]indazole.

Molecular Properties

Compound Name2-propyl-[1,3]dioxolo[4,5-f]indazole
PubChem CID71342052
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-propyl-[1,3]dioxolo[4,5-f]indazole
SMILESCCCn1cc2cc3c(cc2n1)OCO3
InChIInChI=1S/C11H12N2O2/c1-2-3-13-6-8-4-10-11(15-7-14-10)5-9(8)12-13/h4-6H,2-3,7H2,1H3
InChIKeyXHQLZYWAIPGFSG-UHFFFAOYSA-N
XLogP2.17
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-[1,3]dioxolo[4,5-f]indazole?
The IUPAC name of 2-propyl-[1,3]dioxolo[4,5-f]indazole (CID 71342052) is 2-propyl-[1,3]dioxolo[4,5-f]indazole.
What is the SMILES notation for 2-propyl-[1,3]dioxolo[4,5-f]indazole?
The canonical SMILES for 2-propyl-[1,3]dioxolo[4,5-f]indazole is CCCn1cc2cc3c(cc2n1)OCO3.
What is the InChIKey of 2-propyl-[1,3]dioxolo[4,5-f]indazole?
The InChIKey is XHQLZYWAIPGFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-3-13-6-8-4-10-11(15-7-14-10)5-9(8)12-13/h4-6H,2-3,7H2,1H3.
What are the key properties of 2-propyl-[1,3]dioxolo[4,5-f]indazole?
2-propyl-[1,3]dioxolo[4,5-f]indazole has a molecular weight of 204.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-[1,3]dioxolo[4,5-f]indazole is sourced from PubChem (CID 71342052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).