1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone

C15H18N2O2 — CID 103124360

IUPAC1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone
SMILESCn1nc(C(=O)CC2CCOCC2)c2ccccc21
InChIInChI=1S/C15H18N2O2/c1-17-13-5-3-2-4-12(13)15(16-17)14(18)10-11-6-8-19-9-7-11/h2-5,11H,6-10H2,1H3
InChIKeyDXVAGRSMQKWEEG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.57
Rot. Bonds3

About 1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone

1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone (PubChem CID 103124360) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone
PubChem CID103124360
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone
SMILESCn1nc(C(=O)CC2CCOCC2)c2ccccc21
InChIInChI=1S/C15H18N2O2/c1-17-13-5-3-2-4-12(13)15(16-17)14(18)10-11-6-8-19-9-7-11/h2-5,11H,6-10H2,1H3
InChIKeyDXVAGRSMQKWEEG-UHFFFAOYSA-N
XLogP2.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylindazol-3-yl)-3-(oxolan-3-yl)propane-1,3-dione
CID 103119509
3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
CID 103124770
1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119190
N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 63000865
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110
1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
CID 55178208
(4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
CID 103124705
cyclobutyl-(1-methylindazol-3-yl)methanone
CID 103125487
1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
CID 103123981
1-(1-methylindazol-3-yl)pent-3-yn-1-one
CID 103124096
4-methyl-1-(1-methylindazol-3-yl)pent-4-en-1-one
CID 103125342

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone (CID 103124360) is 1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone is Cn1nc(C(=O)CC2CCOCC2)c2ccccc21.
What is the InChIKey of 1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is DXVAGRSMQKWEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-13-5-3-2-4-12(13)15(16-17)14(18)10-11-6-8-19-9-7-11/h2-5,11H,6-10H2,1H3.
What are the key properties of 1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone?
1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 103124360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).