6-butoxy-1,2-dihydroindazol-3-one

C11H14N2O2 — CID 70661188

IUPAC6-butoxy-1,2-dihydroindazol-3-one
SMILESCCCCOc1ccc2c(=O)[nH][nH]c2c1
InChIInChI=1S/C11H14N2O2/c1-2-3-6-15-8-4-5-9-10(7-8)12-13-11(9)14/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14)
InChIKeyHMVYFADLQONRKN-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.04
Rot. Bonds4

About 6-butoxy-1,2-dihydroindazol-3-one

6-butoxy-1,2-dihydroindazol-3-one (PubChem CID 70661188) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-butoxy-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-butoxy-1,2-dihydroindazol-3-one
PubChem CID70661188
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name6-butoxy-1,2-dihydroindazol-3-one
SMILESCCCCOc1ccc2c(=O)[nH][nH]c2c1
InChIInChI=1S/C11H14N2O2/c1-2-3-6-15-8-4-5-9-10(7-8)12-13-11(9)14/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14)
InChIKeyHMVYFADLQONRKN-UHFFFAOYSA-N
XLogP2.04
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-butoxy-1,2-dihydroindazol-3-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

4-butoxy-1H-pyridin-2-one
CID 58896757
3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one
CID 139717151
6-ethyl-1,2-dihydroindazol-3-one
CID 70315708
3,6,9,10-tetrabutoxyphenanthrene
CID 58825721
3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide
CID 58936040
2,6,9,10-tetra(nonoxy)anthracene
CID 139930263
3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
CID 57439420
3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one
CID 57439687
ethane;7-pentoxy-1H-quinolin-2-one
CID 144829550
(7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
CID 139718077
7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one
CID 139716963
2-butoxy-7-hexoxyfluoren-9-one
CID 6425371

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-1,2-dihydroindazol-3-one?
The IUPAC name of 6-butoxy-1,2-dihydroindazol-3-one (CID 70661188) is 6-butoxy-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-butoxy-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-butoxy-1,2-dihydroindazol-3-one is CCCCOc1ccc2c(=O)[nH][nH]c2c1.
What is the InChIKey of 6-butoxy-1,2-dihydroindazol-3-one?
The InChIKey is HMVYFADLQONRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-3-6-15-8-4-5-9-10(7-8)12-13-11(9)14/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14).
What are the key properties of 6-butoxy-1,2-dihydroindazol-3-one?
6-butoxy-1,2-dihydroindazol-3-one has a molecular weight of 206.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-1,2-dihydroindazol-3-one is sourced from PubChem (CID 70661188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).