2-[(E)-oct-1-enyl]pyrimidine

C12H18N2 — CID 11446827

IUPAC2-[(E)-oct-1-enyl]pyrimidine
SMILESCCCCCC/C=C/c1ncccn1
InChIInChI=1S/C12H18N2/c1-2-3-4-5-6-7-9-12-13-10-8-11-14-12/h7-11H,2-6H2,1H3/b9-7+
InChIKeyCAJTYOUOZVQFHW-VQHVLOKHSA-N
MW190.29 g/mol
LogP3.46
Rot. Bonds6

About 2-[(E)-oct-1-enyl]pyrimidine

2-[(E)-oct-1-enyl]pyrimidine (PubChem CID 11446827) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[(E)-oct-1-enyl]pyrimidine.

Molecular Properties

Compound Name2-[(E)-oct-1-enyl]pyrimidine
PubChem CID11446827
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-[(E)-oct-1-enyl]pyrimidine
SMILESCCCCCC/C=C/c1ncccn1
InChIInChI=1S/C12H18N2/c1-2-3-4-5-6-7-9-12-13-10-8-11-14-12/h7-11H,2-6H2,1H3/b9-7+
InChIKeyCAJTYOUOZVQFHW-VQHVLOKHSA-N
XLogP3.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-oct-1-enyl]pyrimidine?
The IUPAC name of 2-[(E)-oct-1-enyl]pyrimidine (CID 11446827) is 2-[(E)-oct-1-enyl]pyrimidine.
What is the SMILES notation for 2-[(E)-oct-1-enyl]pyrimidine?
The canonical SMILES for 2-[(E)-oct-1-enyl]pyrimidine is CCCCCC/C=C/c1ncccn1.
What is the InChIKey of 2-[(E)-oct-1-enyl]pyrimidine?
The InChIKey is CAJTYOUOZVQFHW-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-3-4-5-6-7-9-12-13-10-8-11-14-12/h7-11H,2-6H2,1H3/b9-7+.
What are the key properties of 2-[(E)-oct-1-enyl]pyrimidine?
2-[(E)-oct-1-enyl]pyrimidine has a molecular weight of 190.29 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-oct-1-enyl]pyrimidine is sourced from PubChem (CID 11446827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).