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

C16H26N2O — CID 143717878

IUPAC4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one
SMILESC=CC1=C(/C=C\C)N(CCCC)C(CCC)C(=O)N1
InChIInChI=1S/C16H26N2O/c1-5-9-12-18-14(10-6-2)13(8-4)17-16(19)15(18)11-7-3/h6,8,10,15H,4-5,7,9,11-12H2,1-3H3,(H,17,19)/b10-6-
InChIKeyMLVIVWHQJUVMOR-POHAHGRESA-N
MW262.40 g/mol
LogP3.36
Rot. Bonds7

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

4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one (PubChem CID 143717878) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one.

Molecular Properties

Compound Name4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one
PubChem CID143717878
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one
SMILESC=CC1=C(/C=C\C)N(CCCC)C(CCC)C(=O)N1
InChIInChI=1S/C16H26N2O/c1-5-9-12-18-14(10-6-2)13(8-4)17-16(19)15(18)11-7-3/h6,8,10,15H,4-5,7,9,11-12H2,1-3H3,(H,17,19)/b10-6-
InChIKeyMLVIVWHQJUVMOR-POHAHGRESA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide
CID 177355208
(2S,3S)-2-amino-1-[6-(aminomethyl)-2H-pyridin-1-yl]-3-methylpentan-1-one
CID 54026613
2-[2-Oxo-3-(propanoylamino)-1-pyridinyl]pentanamide
CID 141104525
(2R)-2-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-methylamino]pentanamide
CID 141953519
4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane
CID 143717877
2-butan-2-yl-5,6-bis(ethenyl)-2,4-dihydro-1H-pyrazin-3-one
CID 144101490
(2R)-2-butan-2-yl-5,6-bis(ethenyl)-2,4-dihydro-1H-pyrazin-3-one
CID 144101589
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrrolidine-2-carboxamide
CID 144115612
ethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide
CID 144816942
1-butyl-N-[(3E)-2,4-dimethylhexa-1,3,5-trien-3-yl]piperidine-2-carboxamide
CID 145297317
5,6-Bis(ethenyl)-3,4-dimethyl-1,3-dihydropyrazin-2-one;ethane
CID 145505007
3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione
CID 146573660

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?
The IUPAC name of 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one (CID 143717878) is 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one.
What is the SMILES notation for 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one?
The canonical SMILES for 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one is C=CC1=C(/C=C\C)N(CCCC)C(CCC)C(=O)N1.
What is the InChIKey of 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one?
The InChIKey is MLVIVWHQJUVMOR-POHAHGRESA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-9-12-18-14(10-6-2)13(8-4)17-16(19)15(18)11-7-3/h6,8,10,15H,4-5,7,9,11-12H2,1-3H3,(H,17,19)/b10-6-.
What are the key properties of 4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one?
4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one has a molecular weight of 262.40 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 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 is sourced from PubChem (CID 143717878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).