2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate

C11H15N3O3 — CID 175267608

IUPAC2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1ncc2c1CCCC2=NO
InChIInChI=1S/C11H15N3O3/c1-8(15)17-6-5-14-11-4-2-3-10(13-16)9(11)7-12-14/h7,16H,2-6H2,1H3
InChIKeySNKKBKVEBUBIJW-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.96
Rot. Bonds3

About 2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate

2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate (PubChem CID 175267608) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate
PubChem CID175267608
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1ncc2c1CCCC2=NO
InChIInChI=1S/C11H15N3O3/c1-8(15)17-6-5-14-11-4-2-3-10(13-16)9(11)7-12-14/h7,16H,2-6H2,1H3
InChIKeySNKKBKVEBUBIJW-UHFFFAOYSA-N
XLogP0.96
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate?
The IUPAC name of 2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate (CID 175267608) is 2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate.
What is the SMILES notation for 2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate?
The canonical SMILES for 2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate is CC(=O)OCCn1ncc2c1CCCC2=NO.
What is the InChIKey of 2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate?
The InChIKey is SNKKBKVEBUBIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(15)17-6-5-14-11-4-2-3-10(13-16)9(11)7-12-14/h7,16H,2-6H2,1H3.
What are the key properties of 2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate?
2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate has a molecular weight of 237.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyimino-6,7-dihydro-5H-indazol-1-yl)ethyl acetate is sourced from PubChem (CID 175267608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).