(3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine

C11H15N3 — CID 143593366

IUPAC(3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine
SMILESCC/C=C\N=C1/N=CC=N/C1=C/CC
InChIInChI=1S/C11H15N3/c1-3-5-7-13-11-10(6-4-2)12-8-9-14-11/h5-9H,3-4H2,1-2H3/b7-5-,10-6+,13-11-
InChIKeyHLVAOWNEGNFFMF-RBCNUHJVSA-N
MW189.26 g/mol
LogP2.76
Rot. Bonds3

About (3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine

(3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine (PubChem CID 143593366) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine.

Molecular Properties

Compound Name(3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine
PubChem CID143593366
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine
SMILESCC/C=C\N=C1/N=CC=N/C1=C/CC
InChIInChI=1S/C11H15N3/c1-3-5-7-13-11-10(6-4-2)12-8-9-14-11/h5-9H,3-4H2,1-2H3/b7-5-,10-6+,13-11-
InChIKeyHLVAOWNEGNFFMF-RBCNUHJVSA-N
XLogP2.76
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine?
The IUPAC name of (3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine (CID 143593366) is (3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine.
What is the SMILES notation for (3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine?
The canonical SMILES for (3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine is CC/C=C\N=C1/N=CC=N/C1=C/CC.
What is the InChIKey of (3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine?
The InChIKey is HLVAOWNEGNFFMF-RBCNUHJVSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-5-7-13-11-10(6-4-2)12-8-9-14-11/h5-9H,3-4H2,1-2H3/b7-5-,10-6+,13-11-.
What are the key properties of (3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine?
(3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine has a molecular weight of 189.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[(Z)-but-1-enyl]-3-propylidenepyrazin-2-imine is sourced from PubChem (CID 143593366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).