7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione

C18H25N3O2 — CID 70916012

IUPAC7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione
SMILESC/C=C\CCC1=CCCC=C1CN1CC2NCC(=O)N2CC1=O
InChIInChI=1S/C18H25N3O2/c1-2-3-4-7-14-8-5-6-9-15(14)11-20-12-16-19-10-17(22)21(16)13-18(20)23/h2-3,8-9,16,19H,4-7,10-13H2,1H3/b3-2-
InChIKeyCZQNEFBRHVYBFQ-IHWYPQMZSA-N
MW315.42 g/mol
LogP1.59
Rot. Bonds5

About 7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione

7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione (PubChem CID 70916012) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione.

Molecular Properties

Compound Name7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione
PubChem CID70916012
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione
SMILESC/C=C\CCC1=CCCC=C1CN1CC2NCC(=O)N2CC1=O
InChIInChI=1S/C18H25N3O2/c1-2-3-4-7-14-8-5-6-9-15(14)11-20-12-16-19-10-17(22)21(16)13-18(20)23/h2-3,8-9,16,19H,4-7,10-13H2,1H3/b3-2-
InChIKeyCZQNEFBRHVYBFQ-IHWYPQMZSA-N
XLogP1.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-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-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione?
The IUPAC name of 7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione (CID 70916012) is 7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione.
What is the SMILES notation for 7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione?
The canonical SMILES for 7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione is C/C=C\CCC1=CCCC=C1CN1CC2NCC(=O)N2CC1=O.
What is the InChIKey of 7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione?
The InChIKey is CZQNEFBRHVYBFQ-IHWYPQMZSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-3-4-7-14-8-5-6-9-15(14)11-20-12-16-19-10-17(22)21(16)13-18(20)23/h2-3,8-9,16,19H,4-7,10-13H2,1H3/b3-2-.
What are the key properties of 7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione?
7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione has a molecular weight of 315.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(Z)-pent-3-enyl]cyclohexa-1,5-dien-1-yl]methyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione is sourced from PubChem (CID 70916012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).