1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one

C10H14N2O — CID 165139966

IUPAC1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one
SMILESC=C(C)Cc1nccn(CC)c1=O
InChIInChI=1S/C10H14N2O/c1-4-12-6-5-11-9(10(12)13)7-8(2)3/h5-6H,2,4,7H2,1,3H3
InChIKeyDJIMEBQKEDTNAH-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.38
Rot. Bonds3

About 1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one

1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one (PubChem CID 165139966) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one
PubChem CID165139966
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one
SMILESC=C(C)Cc1nccn(CC)c1=O
InChIInChI=1S/C10H14N2O/c1-4-12-6-5-11-9(10(12)13)7-8(2)3/h5-6H,2,4,7H2,1,3H3
InChIKeyDJIMEBQKEDTNAH-UHFFFAOYSA-N
XLogP1.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3,4-dihydropyridine-2-carboxamide
CID 58752925
N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane
CID 91507600

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one (CID 165139966) is 1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one is C=C(C)Cc1nccn(CC)c1=O.
What is the InChIKey of 1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one?
The InChIKey is DJIMEBQKEDTNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-12-6-5-11-9(10(12)13)7-8(2)3/h5-6H,2,4,7H2,1,3H3.
What are the key properties of 1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one?
1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one is sourced from PubChem (CID 165139966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).