1-(1-methylindazol-3-yl)hexan-1-one

C14H18N2O — CID 103124222

IUPAC1-(1-methylindazol-3-yl)hexan-1-one
SMILESCCCCCC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-3-4-5-10-13(17)14-11-8-6-7-9-12(11)16(2)15-14/h6-9H,3-5,10H2,1-2H3
InChIKeyWYRXHRWAYZEFQG-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.34
Rot. Bonds5

About 1-(1-methylindazol-3-yl)hexan-1-one

1-(1-methylindazol-3-yl)hexan-1-one (PubChem CID 103124222) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)hexan-1-one.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)hexan-1-one
PubChem CID103124222
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(1-methylindazol-3-yl)hexan-1-one
SMILESCCCCCC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-3-4-5-10-13(17)14-11-8-6-7-9-12(11)16(2)15-14/h6-9H,3-5,10H2,1-2H3
InChIKeyWYRXHRWAYZEFQG-UHFFFAOYSA-N
XLogP3.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-methylindazol-3-yl)hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one
CID 112754729
4-methoxy-1-(1-methylindazol-3-yl)butan-1-one
CID 103125569
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
CID 103123981
4-methyl-1-(1-methylindazol-3-yl)pent-4-en-1-one
CID 103125342
1-(1-methylindazol-3-yl)hex-4-yn-1-one
CID 103125315
3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
CID 103124770
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110
1-(1-methylindazol-3-yl)pent-3-yn-1-one
CID 103124096
N-decan-3-yl-1-methylindazole-3-carboxamide
CID 67866590
1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone
CID 103123957
2-methyl-1-(1-methylindazol-3-yl)pentan-1-one
CID 107891232
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)hexan-1-one?
The IUPAC name of 1-(1-methylindazol-3-yl)hexan-1-one (CID 103124222) is 1-(1-methylindazol-3-yl)hexan-1-one.
What is the SMILES notation for 1-(1-methylindazol-3-yl)hexan-1-one?
The canonical SMILES for 1-(1-methylindazol-3-yl)hexan-1-one is CCCCCC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of 1-(1-methylindazol-3-yl)hexan-1-one?
The InChIKey is WYRXHRWAYZEFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-4-5-10-13(17)14-11-8-6-7-9-12(11)16(2)15-14/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 1-(1-methylindazol-3-yl)hexan-1-one?
1-(1-methylindazol-3-yl)hexan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)hexan-1-one is sourced from PubChem (CID 103124222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).