4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane

C21H40N2O2 — CID 143717877

IUPAC4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane
SMILESC=CC1=C(/C=C\C)N(CCCC)C(CCC)C(=O)N1.CCC.CCO
InChIInChI=1S/C16H26N2O.C3H8.C2H6O/c1-5-9-12-18-14(10-6-2)13(8-4)17-16(19)15(18)11-7-3;1-3-2;1-2-3/h6,8,10,15H,4-5,7,9,11-12H2,1-3H3,(H,17,19);3H2,1-2H3;3H,2H2,1H3/b10-6-;;
InChIKeyJTHGZULWSZAREG-LVLXLXDWSA-N
MW352.56 g/mol
LogP4.78
Rot. Bonds7

About 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane

4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane (PubChem CID 143717877) has the molecular formula C21H40N2O2 and a molecular weight of 352.56 g/mol. Its IUPAC name is 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane.

Molecular Properties

Compound Name4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane
PubChem CID143717877
Molecular FormulaC21H40N2O2
Molecular Weight352.56 g/mol
Exact Mass352.31
IUPAC Name4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane
SMILESC=CC1=C(/C=C\C)N(CCCC)C(CCC)C(=O)N1.CCC.CCO
InChIInChI=1S/C16H26N2O.C3H8.C2H6O/c1-5-9-12-18-14(10-6-2)13(8-4)17-16(19)15(18)11-7-3;1-3-2;1-2-3/h6,8,10,15H,4-5,7,9,11-12H2,1-3H3,(H,17,19);3H2,1-2H3;3H,2H2,1H3/b10-6-;;
InChIKeyJTHGZULWSZAREG-LVLXLXDWSA-N
XLogP4.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane?
The IUPAC name of 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane (CID 143717877) is 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane.
What is the SMILES notation for 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane?
The canonical SMILES for 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane is C=CC1=C(/C=C\C)N(CCCC)C(CCC)C(=O)N1.CCC.CCO.
What is the InChIKey of 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane?
The InChIKey is JTHGZULWSZAREG-LVLXLXDWSA-N. The full InChI is InChI=1S/C16H26N2O.C3H8.C2H6O/c1-5-9-12-18-14(10-6-2)13(8-4)17-16(19)15(18)11-7-3;1-3-2;1-2-3/h6,8,10,15H,4-5,7,9,11-12H2,1-3H3,(H,17,19);3H2,1-2H3;3H,2H2,1H3/b10-6-;;.
What are the key properties of 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane?
4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane has a molecular weight of 352.56 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane is sourced from PubChem (CID 143717877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).