2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine

C10H11ClN2O — CID 104516505

IUPAC2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine
SMILESCOc1nccnc1C1=CC(Cl)CC1
InChIInChI=1S/C10H11ClN2O/c1-14-10-9(12-4-5-13-10)7-2-3-8(11)6-7/h4-6,8H,2-3H2,1H3
InChIKeyONIALQJVFVUMQW-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.27
Rot. Bonds2

About 2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine

2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine (PubChem CID 104516505) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine.

Molecular Properties

Compound Name2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine
PubChem CID104516505
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine
SMILESCOc1nccnc1C1=CC(Cl)CC1
InChIInChI=1S/C10H11ClN2O/c1-14-10-9(12-4-5-13-10)7-2-3-8(11)6-7/h4-6,8H,2-3H2,1H3
InChIKeyONIALQJVFVUMQW-UHFFFAOYSA-N
XLogP2.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine?
The IUPAC name of 2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine (CID 104516505) is 2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine.
What is the SMILES notation for 2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine?
The canonical SMILES for 2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine is COc1nccnc1C1=CC(Cl)CC1.
What is the InChIKey of 2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine?
The InChIKey is ONIALQJVFVUMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-14-10-9(12-4-5-13-10)7-2-3-8(11)6-7/h4-6,8H,2-3H2,1H3.
What are the key properties of 2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine?
2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine has a molecular weight of 210.66 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorocyclopenten-1-yl)-3-methoxypyrazine is sourced from PubChem (CID 104516505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).