1-[(Z)-octadec-9-enyl]-2H-pyrazine

C22H40N2 — CID 70017789

IUPAC1-[(Z)-octadec-9-enyl]-2H-pyrazine
SMILESCCCCCCCC/C=C\CCCCCCCCN1C=CN=CC1
InChIInChI=1S/C22H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21-18-23-19-22-24/h9-10,18-19,21H,2-8,11-17,20,22H2,1H3/b10-9-
InChIKeyRVNNUINNSCTXPM-KTKRTIGZSA-N
MW332.58 g/mol
LogP6.88
Rot. Bonds16

About 1-[(Z)-octadec-9-enyl]-2H-pyrazine

1-[(Z)-octadec-9-enyl]-2H-pyrazine (PubChem CID 70017789) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 1-[(Z)-octadec-9-enyl]-2H-pyrazine.

Molecular Properties

Compound Name1-[(Z)-octadec-9-enyl]-2H-pyrazine
PubChem CID70017789
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name1-[(Z)-octadec-9-enyl]-2H-pyrazine
SMILESCCCCCCCC/C=C\CCCCCCCCN1C=CN=CC1
InChIInChI=1S/C22H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21-18-23-19-22-24/h9-10,18-19,21H,2-8,11-17,20,22H2,1H3/b10-9-
InChIKeyRVNNUINNSCTXPM-KTKRTIGZSA-N
XLogP6.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(Z)-octadec-9-enyl]-2H-pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-octadec-9-enyl]-2H-pyrazine?
The IUPAC name of 1-[(Z)-octadec-9-enyl]-2H-pyrazine (CID 70017789) is 1-[(Z)-octadec-9-enyl]-2H-pyrazine.
What is the SMILES notation for 1-[(Z)-octadec-9-enyl]-2H-pyrazine?
The canonical SMILES for 1-[(Z)-octadec-9-enyl]-2H-pyrazine is CCCCCCCC/C=C\CCCCCCCCN1C=CN=CC1.
What is the InChIKey of 1-[(Z)-octadec-9-enyl]-2H-pyrazine?
The InChIKey is RVNNUINNSCTXPM-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21-18-23-19-22-24/h9-10,18-19,21H,2-8,11-17,20,22H2,1H3/b10-9-.
What are the key properties of 1-[(Z)-octadec-9-enyl]-2H-pyrazine?
1-[(Z)-octadec-9-enyl]-2H-pyrazine has a molecular weight of 332.58 g/mol, XLogP of 6.88, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-octadec-9-enyl]-2H-pyrazine is sourced from PubChem (CID 70017789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).