4-methyl-1-(1-methylindazol-3-yl)hexan-2-one

C15H20N2O — CID 115778384

IUPAC4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
SMILESCCC(C)CC(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C15H20N2O/c1-4-11(2)9-12(18)10-14-13-7-5-6-8-15(13)17(3)16-14/h5-8,11H,4,9-10H2,1-3H3
InChIKeyTWLAZPUEGDIFES-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.12
Rot. Bonds5

About 4-methyl-1-(1-methylindazol-3-yl)hexan-2-one

4-methyl-1-(1-methylindazol-3-yl)hexan-2-one (PubChem CID 115778384) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-methyl-1-(1-methylindazol-3-yl)hexan-2-one.

Molecular Properties

Compound Name4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
PubChem CID115778384
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
SMILESCCC(C)CC(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C15H20N2O/c1-4-11(2)9-12(18)10-14-13-7-5-6-8-15(13)17(3)16-14/h5-8,11H,4,9-10H2,1-3H3
InChIKeyTWLAZPUEGDIFES-UHFFFAOYSA-N
XLogP3.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylindazol-3-yl)-4-methylhexan-2-one
CID 114981110
7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one
CID 116578212
2-(1-methylindazol-3-yl)acetamide
CID 67465474
3-ethoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-one
CID 116708638
(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107924
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107519
1-(1-methylindazol-3-yl)-4-pyridin-4-ylbutan-2-one
CID 105111013
1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one
CID 105111099
2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 122107320
1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one
CID 116559545
3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one
CID 116574544
1-(1-methylindazol-3-yl)-3-(prop-2-enylamino)propan-2-one
CID 116589787

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylindazol-3-yl)hexan-2-one?
The IUPAC name of 4-methyl-1-(1-methylindazol-3-yl)hexan-2-one (CID 115778384) is 4-methyl-1-(1-methylindazol-3-yl)hexan-2-one.
What is the SMILES notation for 4-methyl-1-(1-methylindazol-3-yl)hexan-2-one?
The canonical SMILES for 4-methyl-1-(1-methylindazol-3-yl)hexan-2-one is CCC(C)CC(=O)Cc1nn(C)c2ccccc12.
What is the InChIKey of 4-methyl-1-(1-methylindazol-3-yl)hexan-2-one?
The InChIKey is TWLAZPUEGDIFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-11(2)9-12(18)10-14-13-7-5-6-8-15(13)17(3)16-14/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 4-methyl-1-(1-methylindazol-3-yl)hexan-2-one?
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylindazol-3-yl)hexan-2-one is sourced from PubChem (CID 115778384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).