8-pyrazin-2-yloctanoic acid

C12H18N2O2 — CID 67107978

IUPAC8-pyrazin-2-yloctanoic acid
SMILESO=C(O)CCCCCCCc1cnccn1
InChIInChI=1S/C12H18N2O2/c15-12(16)7-5-3-1-2-4-6-11-10-13-8-9-14-11/h8-10H,1-7H2,(H,15,16)
InChIKeyKWLDWWMVFCQTDO-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.44
Rot. Bonds8

About 8-pyrazin-2-yloctanoic acid

8-pyrazin-2-yloctanoic acid (PubChem CID 67107978) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 8-pyrazin-2-yloctanoic acid.

Molecular Properties

Compound Name8-pyrazin-2-yloctanoic acid
PubChem CID67107978
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name8-pyrazin-2-yloctanoic acid
SMILESO=C(O)CCCCCCCc1cnccn1
InChIInChI=1S/C12H18N2O2/c15-12(16)7-5-3-1-2-4-6-11-10-13-8-9-14-11/h8-10H,1-7H2,(H,15,16)
InChIKeyKWLDWWMVFCQTDO-UHFFFAOYSA-N
XLogP2.44
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-pyrazin-2-ylpentanoic acid
CID 22934386
13-pyrazin-2-yltridecan-1-ol
CID 11437411
2-(4-chlorobutyl)pyrazine
CID 54142215
benzyl 4-pyrazin-2-ylbutanoate
CID 134574078
6-pyridin-4-ylhexanoic acid
CID 12904562
CID 57209721
CID 57209721
1-pyrazin-2-ylhexan-3-one
CID 64504751
6-(pyrazin-2-ylcarbamoylamino)hexanoic acid
CID 110492246
6-imidazol-1-id-4-ylhexanoic acid;palladium
CID 162757845
1,4-di(pyrazin-2-yl)butane-2,3-dione
CID 57316761
10-(1-methylimidazol-2-yl)decanoic acid
CID 69479217
10-(5-chloropyrimidin-2-yl)decanoic acid
CID 150177682

Frequently Asked Questions

What is the IUPAC name of 8-pyrazin-2-yloctanoic acid?
The IUPAC name of 8-pyrazin-2-yloctanoic acid (CID 67107978) is 8-pyrazin-2-yloctanoic acid.
What is the SMILES notation for 8-pyrazin-2-yloctanoic acid?
The canonical SMILES for 8-pyrazin-2-yloctanoic acid is O=C(O)CCCCCCCc1cnccn1.
What is the InChIKey of 8-pyrazin-2-yloctanoic acid?
The InChIKey is KWLDWWMVFCQTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12(16)7-5-3-1-2-4-6-11-10-13-8-9-14-11/h8-10H,1-7H2,(H,15,16).
What are the key properties of 8-pyrazin-2-yloctanoic acid?
8-pyrazin-2-yloctanoic acid has a molecular weight of 222.29 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrazin-2-yloctanoic acid is sourced from PubChem (CID 67107978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).