(2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine

C11H16N2 — CID 139437241

IUPAC(2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine
SMILESC/C=C\N1C=CN=C/C1=C\CCC
InChIInChI=1S/C11H16N2/c1-3-5-6-11-10-12-7-9-13(11)8-4-2/h4,6-10H,3,5H2,1-2H3/b8-4-,11-6+
InChIKeyOKABEBQLVKDVKS-NOSMKPSFSA-N
MW176.26 g/mol
LogP3.06
Rot. Bonds3

About (2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine

(2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine (PubChem CID 139437241) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine.

Molecular Properties

Compound Name(2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine
PubChem CID139437241
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine
SMILESC/C=C\N1C=CN=C/C1=C\CCC
InChIInChI=1S/C11H16N2/c1-3-5-6-11-10-12-7-9-13(11)8-4-2/h4,6-10H,3,5H2,1-2H3/b8-4-,11-6+
InChIKeyOKABEBQLVKDVKS-NOSMKPSFSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine?
The IUPAC name of (2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine (CID 139437241) is (2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine.
What is the SMILES notation for (2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine?
The canonical SMILES for (2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine is C/C=C\N1C=CN=C/C1=C\CCC.
What is the InChIKey of (2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine?
The InChIKey is OKABEBQLVKDVKS-NOSMKPSFSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-5-6-11-10-12-7-9-13(11)8-4-2/h4,6-10H,3,5H2,1-2H3/b8-4-,11-6+.
What are the key properties of (2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine?
(2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine has a molecular weight of 176.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine is sourced from PubChem (CID 139437241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).