(3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one

C12H16N2O — CID 163809918

IUPAC(3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one
SMILESC/C=C\N1C=C(C)NC(=O)/C1=C/C=C/C
InChIInChI=1S/C12H16N2O/c1-4-6-7-11-12(15)13-10(3)9-14(11)8-5-2/h4-9H,1-3H3,(H,13,15)/b6-4+,8-5-,11-7-
InChIKeyNMIMLGUGCPIWHI-BLNJOMPVSA-N
MW204.27 g/mol
LogP2.27
Rot. Bonds2

About (3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one

(3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one (PubChem CID 163809918) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name(3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one
PubChem CID163809918
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one
SMILESC/C=C\N1C=C(C)NC(=O)/C1=C/C=C/C
InChIInChI=1S/C12H16N2O/c1-4-6-7-11-12(15)13-10(3)9-14(11)8-5-2/h4-9H,1-3H3,(H,13,15)/b6-4+,8-5-,11-7-
InChIKeyNMIMLGUGCPIWHI-BLNJOMPVSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one?
The IUPAC name of (3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one (CID 163809918) is (3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one.
What is the SMILES notation for (3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one?
The canonical SMILES for (3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one is C/C=C\N1C=C(C)NC(=O)/C1=C/C=C/C.
What is the InChIKey of (3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one?
The InChIKey is NMIMLGUGCPIWHI-BLNJOMPVSA-N. The full InChI is InChI=1S/C12H16N2O/c1-4-6-7-11-12(15)13-10(3)9-14(11)8-5-2/h4-9H,1-3H3,(H,13,15)/b6-4+,8-5-,11-7-.
What are the key properties of (3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one?
(3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-but-2-enylidene]-6-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazin-2-one is sourced from PubChem (CID 163809918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).