7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione

C19H31N3O2 — CID 89097624

IUPAC7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione
SMILESCC/C=C\C(CCN1CC2NCC(=O)N2CC1=O)=C(/C)CCCC
InChIInChI=1S/C19H31N3O2/c1-4-6-8-15(3)16(9-7-5-2)10-11-21-13-17-20-12-18(23)22(17)14-19(21)24/h7,9,17,20H,4-6,8,10-14H2,1-3H3/b9-7-,16-15-
InChIKeyQRROBUCVAJTHFN-BHHNPLSZSA-N
MW333.48 g/mol
LogP2.45
Rot. Bonds8

About 7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione

7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione (PubChem CID 89097624) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione.

Molecular Properties

Compound Name7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione
PubChem CID89097624
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione
SMILESCC/C=C\C(CCN1CC2NCC(=O)N2CC1=O)=C(/C)CCCC
InChIInChI=1S/C19H31N3O2/c1-4-6-8-15(3)16(9-7-5-2)10-11-21-13-17-20-12-18(23)22(17)14-19(21)24/h7,9,17,20H,4-6,8,10-14H2,1-3H3/b9-7-,16-15-
InChIKeyQRROBUCVAJTHFN-BHHNPLSZSA-N
XLogP2.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione?
The IUPAC name of 7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione (CID 89097624) is 7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione.
What is the SMILES notation for 7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione?
The canonical SMILES for 7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione is CC/C=C\C(CCN1CC2NCC(=O)N2CC1=O)=C(/C)CCCC.
What is the InChIKey of 7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione?
The InChIKey is QRROBUCVAJTHFN-BHHNPLSZSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-6-8-15(3)16(9-7-5-2)10-11-21-13-17-20-12-18(23)22(17)14-19(21)24/h7,9,17,20H,4-6,8,10-14H2,1-3H3/b9-7-,16-15-.
What are the key properties of 7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione?
7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione has a molecular weight of 333.48 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione is sourced from PubChem (CID 89097624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).