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

C10H14N2O2 — CID 14128504

IUPAC1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]
SMILESCn1ncc2c1CCC1(C2)OCCO1
InChIInChI=1S/C10H14N2O2/c1-12-9-2-3-10(13-4-5-14-10)6-8(9)7-11-12/h7H,2-6H2,1H3
InChIKeyBQNYPSRXUAQEFL-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.65
Rot. Bonds

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

1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] (PubChem CID 14128504) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole].

Molecular Properties

Compound Name1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]
PubChem CID14128504
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]
SMILESCn1ncc2c1CCC1(C2)OCCO1
InChIInChI=1S/C10H14N2O2/c1-12-9-2-3-10(13-4-5-14-10)6-8(9)7-11-12/h7H,2-6H2,1H3
InChIKeyBQNYPSRXUAQEFL-UHFFFAOYSA-N
XLogP0.65
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]?
The IUPAC name of 1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] (CID 14128504) is 1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole].
What is the SMILES notation for 1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]?
The canonical SMILES for 1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] is Cn1ncc2c1CCC1(C2)OCCO1.
What is the InChIKey of 1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]?
The InChIKey is BQNYPSRXUAQEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-9-2-3-10(13-4-5-14-10)6-8(9)7-11-12/h7H,2-6H2,1H3.
What are the key properties of 1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]?
1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] has a molecular weight of 194.23 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] is sourced from PubChem (CID 14128504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).