methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate

C16H16N2O2 — CID 130346560

IUPACmethyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate
SMILESCOC(=O)Cn1nc(C2=CCCC=C2)c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-20-15(19)11-18-14-10-6-5-9-13(14)16(17-18)12-7-3-2-4-8-12/h3,5-10H,2,4,11H2,1H3
InChIKeyZCBBQCPMFKSGKD-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.94
Rot. Bonds3

About methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate

methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate (PubChem CID 130346560) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate
PubChem CID130346560
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate
SMILESCOC(=O)Cn1nc(C2=CCCC=C2)c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-20-15(19)11-18-14-10-6-5-9-13(14)16(17-18)12-7-3-2-4-8-12/h3,5-10H,2,4,11H2,1H3
InChIKeyZCBBQCPMFKSGKD-UHFFFAOYSA-N
XLogP2.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate?
The IUPAC name of methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate (CID 130346560) is methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate?
The canonical SMILES for methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate is COC(=O)Cn1nc(C2=CCCC=C2)c2ccccc21.
What is the InChIKey of methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate?
The InChIKey is ZCBBQCPMFKSGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-15(19)11-18-14-10-6-5-9-13(14)16(17-18)12-7-3-2-4-8-12/h3,5-10H,2,4,11H2,1H3.
What are the key properties of methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate?
methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate has a molecular weight of 268.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate is sourced from PubChem (CID 130346560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).