2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid

C11H16N2O3 — CID 71186933

IUPAC2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid
SMILESCCn1c(=O)c2c(n1CC(=O)O)CCCC2
InChIInChI=1S/C11H16N2O3/c1-2-12-11(16)8-5-3-4-6-9(8)13(12)7-10(14)15/h2-7H2,1H3,(H,14,15)
InChIKeyCBAVCTNFVMZVRO-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.63
Rot. Bonds3

About 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid

2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid (PubChem CID 71186933) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid
PubChem CID71186933
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid
SMILESCCn1c(=O)c2c(n1CC(=O)O)CCCC2
InChIInChI=1S/C11H16N2O3/c1-2-12-11(16)8-5-3-4-6-9(8)13(12)7-10(14)15/h2-7H2,1H3,(H,14,15)
InChIKeyCBAVCTNFVMZVRO-UHFFFAOYSA-N
XLogP0.63
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid (CID 71186933) is 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid is CCn1c(=O)c2c(n1CC(=O)O)CCCC2.
What is the InChIKey of 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid?
The InChIKey is CBAVCTNFVMZVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-12-11(16)8-5-3-4-6-9(8)13(12)7-10(14)15/h2-7H2,1H3,(H,14,15).
What are the key properties of 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid?
2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid has a molecular weight of 224.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid is sourced from PubChem (CID 71186933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).