2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone

C16H20N2O2 — CID 80684499

IUPAC2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone
SMILESCn1nc(CC(=O)C2(C)CCCCO2)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-16(9-5-6-10-20-16)15(19)11-13-12-7-3-4-8-14(12)18(2)17-13/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKeyFQGRVFMALXNHGG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.64
Rot. Bonds3

About 2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone

2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone (PubChem CID 80684499) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone
PubChem CID80684499
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone
SMILESCn1nc(CC(=O)C2(C)CCCCO2)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-16(9-5-6-10-20-16)15(19)11-13-12-7-3-4-8-14(12)18(2)17-13/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKeyFQGRVFMALXNHGG-UHFFFAOYSA-N
XLogP2.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone
CID 103450366
1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone
CID 116558804
1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone
CID 116608186
2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829628
2-(1-methylindazol-3-yl)acetamide
CID 67465474
1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452206
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid
CID 122107123
1-[(1-methylindazol-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80610067
(2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 122111228
(3S)-1-[2-(1-methylindazol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 122107141
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone
CID 106691110

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone?
The IUPAC name of 2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone (CID 80684499) is 2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone.
What is the SMILES notation for 2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone?
The canonical SMILES for 2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone is Cn1nc(CC(=O)C2(C)CCCCO2)c2ccccc21.
What is the InChIKey of 2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone?
The InChIKey is FQGRVFMALXNHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(9-5-6-10-20-16)15(19)11-13-12-7-3-4-8-14(12)18(2)17-13/h3-4,7-8H,5-6,9-11H2,1-2H3.
What are the key properties of 2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone?
2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone is sourced from PubChem (CID 80684499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).