(1-acetylindazol-4-yl)methyl acetate

C12H12N2O3 — CID 67151807

IUPAC(1-acetylindazol-4-yl)methyl acetate
SMILESCC(=O)OCc1cccc2c1cnn2C(C)=O
InChIInChI=1S/C12H12N2O3/c1-8(15)14-12-5-3-4-10(7-17-9(2)16)11(12)6-13-14/h3-6H,7H2,1-2H3
InChIKeyKPDJIUUHGZRVQZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.76
Rot. Bonds2

About (1-acetylindazol-4-yl)methyl acetate

(1-acetylindazol-4-yl)methyl acetate (PubChem CID 67151807) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (1-acetylindazol-4-yl)methyl acetate.

Molecular Properties

Compound Name(1-acetylindazol-4-yl)methyl acetate
PubChem CID67151807
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(1-acetylindazol-4-yl)methyl acetate
SMILESCC(=O)OCc1cccc2c1cnn2C(C)=O
InChIInChI=1S/C12H12N2O3/c1-8(15)14-12-5-3-4-10(7-17-9(2)16)11(12)6-13-14/h3-6H,7H2,1-2H3
InChIKeyKPDJIUUHGZRVQZ-UHFFFAOYSA-N
XLogP1.76
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-acetylindazol-4-yl)methyl acetate?
The IUPAC name of (1-acetylindazol-4-yl)methyl acetate (CID 67151807) is (1-acetylindazol-4-yl)methyl acetate.
What is the SMILES notation for (1-acetylindazol-4-yl)methyl acetate?
The canonical SMILES for (1-acetylindazol-4-yl)methyl acetate is CC(=O)OCc1cccc2c1cnn2C(C)=O.
What is the InChIKey of (1-acetylindazol-4-yl)methyl acetate?
The InChIKey is KPDJIUUHGZRVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(15)14-12-5-3-4-10(7-17-9(2)16)11(12)6-13-14/h3-6H,7H2,1-2H3.
What are the key properties of (1-acetylindazol-4-yl)methyl acetate?
(1-acetylindazol-4-yl)methyl acetate has a molecular weight of 232.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylindazol-4-yl)methyl acetate is sourced from PubChem (CID 67151807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).