4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole

C16H20N2O — CID 176885586

IUPAC4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole
SMILESC=CCc1nn(C2CCCCO2)c2cccc(C)c12
InChIInChI=1S/C16H20N2O/c1-3-7-13-16-12(2)8-6-9-14(16)18(17-13)15-10-4-5-11-19-15/h3,6,8-9,15H,1,4-5,7,10-11H2,2H3
InChIKeyUPEGXPJOYCUWTN-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.77
Rot. Bonds3

About 4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole

4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole (PubChem CID 176885586) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole.

Molecular Properties

Compound Name4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole
PubChem CID176885586
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole
SMILESC=CCc1nn(C2CCCCO2)c2cccc(C)c12
InChIInChI=1S/C16H20N2O/c1-3-7-13-16-12(2)8-6-9-14(16)18(17-13)15-10-4-5-11-19-15/h3,6,8-9,15H,1,4-5,7,10-11H2,2H3
InChIKeyUPEGXPJOYCUWTN-UHFFFAOYSA-N
XLogP3.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole
CID 144574984
[3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine
CID 71272763
methyl 3-bromo-1-(oxan-2-yl)indazole-4-carboxylate
CID 72698240
4-[(3,5-difluorophenyl)methyl]-3-(dimethoxymethyl)-1-(oxan-2-yl)indazole
CID 175798153
3-chloro-1-(oxan-2-yl)indazole
CID 66909910
3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
CID 143866443
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole
CID 171067202
3-methyl-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine
CID 141359548
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
3-chloro-5-ethenyl-1-(oxan-2-yl)indazole
CID 176887222
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole?
The IUPAC name of 4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole (CID 176885586) is 4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole.
What is the SMILES notation for 4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole?
The canonical SMILES for 4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole is C=CCc1nn(C2CCCCO2)c2cccc(C)c12.
What is the InChIKey of 4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole?
The InChIKey is UPEGXPJOYCUWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-7-13-16-12(2)8-6-9-14(16)18(17-13)15-10-4-5-11-19-15/h3,6,8-9,15H,1,4-5,7,10-11H2,2H3.
What are the key properties of 4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole?
4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole has a molecular weight of 256.35 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole is sourced from PubChem (CID 176885586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).