2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid

C11H16N2O2 — CID 20887528

IUPAC2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid
SMILESO=C(O)Cn1cc2c(n1)CCCCCC2
InChIInChI=1S/C11H16N2O2/c14-11(15)8-13-7-9-5-3-1-2-4-6-10(9)12-13/h7H,1-6,8H2,(H,14,15)
InChIKeySKIMCTSLKJMGGG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.63
Rot. Bonds2

About 2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid

2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid (PubChem CID 20887528) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid
PubChem CID20887528
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid
SMILESO=C(O)Cn1cc2c(n1)CCCCCC2
InChIInChI=1S/C11H16N2O2/c14-11(15)8-13-7-9-5-3-1-2-4-6-10(9)12-13/h7H,1-6,8H2,(H,14,15)
InChIKeySKIMCTSLKJMGGG-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid?
The IUPAC name of 2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid (CID 20887528) is 2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid?
The canonical SMILES for 2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid is O=C(O)Cn1cc2c(n1)CCCCCC2.
What is the InChIKey of 2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid?
The InChIKey is SKIMCTSLKJMGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11(15)8-13-7-9-5-3-1-2-4-6-10(9)12-13/h7H,1-6,8H2,(H,14,15).
What are the key properties of 2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid?
2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid is sourced from PubChem (CID 20887528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).