spiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole]

C9H12N2O2 — CID 130730203

IUPACspiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole]
SMILESc1n[nH]c2c1CCC1(C2)OCCO1
InChIInChI=1S/C9H12N2O2/c1-2-9(12-3-4-13-9)5-8-7(1)6-10-11-8/h6H,1-5H2,(H,10,11)
InChIKeyJDBVGJKTMUBDQJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.64
Rot. Bonds

About spiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole]

spiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole] (PubChem CID 130730203) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole]
PubChem CID130730203
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namespiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole]
SMILESc1n[nH]c2c1CCC1(C2)OCCO1
InChIInChI=1S/C9H12N2O2/c1-2-9(12-3-4-13-9)5-8-7(1)6-10-11-8/h6H,1-5H2,(H,10,11)
InChIKeyJDBVGJKTMUBDQJ-UHFFFAOYSA-N
XLogP0.64
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]
CID 25220832
5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine
CID 166137648
6,6-dimethyl-1,4,5,7-tetrahydroindazole;3-iodo-6,6-dimethyl-1,4,5,7-tetrahydroindazole
CID 162165555
5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane
CID 144881790
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine
CID 43690947
6-iodo-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
CID 154470853
2'-(2-fluorophenyl)spiro[1,3-dioxolane-2,8'-5,6,7,9-tetrahydropyrimido[5,4-b]indole]
CID 15229584
4-spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinazoline]-2'-ylbenzonitrile
CID 135018568
7-methylidene-1,4-dioxaspiro[4.8]tridecane
CID 10750402
2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran]
CID 134863746
1,4-dioxaspiro[4.5]decan-8-one
CID 567415
(6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine
CID 112714625

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole]?
The IUPAC name of spiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole] (CID 130730203) is spiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole].
What is the SMILES notation for spiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole]?
The canonical SMILES for spiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole] is c1n[nH]c2c1CCC1(C2)OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole]?
The InChIKey is JDBVGJKTMUBDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-9(12-3-4-13-9)5-8-7(1)6-10-11-8/h6H,1-5H2,(H,10,11).
What are the key properties of spiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole]?
spiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole] has a molecular weight of 180.21 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindazole] is sourced from PubChem (CID 130730203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).