2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C18H24N2O — CID 166726008

IUPAC2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESC=C/C=C(CN1CCn2ccc(=O)c(C)c2C1)\C(C)=C/C
InChIInChI=1S/C18H24N2O/c1-5-7-16(14(3)6-2)12-19-10-11-20-9-8-18(21)15(4)17(20)13-19/h5-9H,1,10-13H2,2-4H3/b14-6-,16-7-
InChIKeyKQRSKJHREBTMTJ-XQVMPSOSSA-N
MW284.40 g/mol
LogP3.05
Rot. Bonds4

About 2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 166726008) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID166726008
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESC=C/C=C(CN1CCn2ccc(=O)c(C)c2C1)\C(C)=C/C
InChIInChI=1S/C18H24N2O/c1-5-7-16(14(3)6-2)12-19-10-11-20-9-8-18(21)15(4)17(20)13-19/h5-9H,1,10-13H2,2-4H3/b14-6-,16-7-
InChIKeyKQRSKJHREBTMTJ-XQVMPSOSSA-N
XLogP3.05
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 166726008) is 2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is C=C/C=C(CN1CCn2ccc(=O)c(C)c2C1)\C(C)=C/C.
What is the InChIKey of 2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is KQRSKJHREBTMTJ-XQVMPSOSSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-7-16(14(3)6-2)12-19-10-11-20-9-8-18(21)15(4)17(20)13-19/h5-9H,1,10-13H2,2-4H3/b14-6-,16-7-.
What are the key properties of 2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 284.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 166726008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).