1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione

C12H17N3O2 — CID 123693023

IUPAC1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione
SMILESC=N/N=C/C(/C=C/N1C(=O)CCCC1=O)CC
InChIInChI=1S/C12H17N3O2/c1-3-10(9-14-13-2)7-8-15-11(16)5-4-6-12(15)17/h7-10H,2-6H2,1H3/b8-7+,14-9+
InChIKeyLWHOCGNAAMUDBU-HTEJKWGNSA-N
MW235.29 g/mol
LogP1.75
Rot. Bonds5

About 1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione

1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione (PubChem CID 123693023) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione
PubChem CID123693023
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione
SMILESC=N/N=C/C(/C=C/N1C(=O)CCCC1=O)CC
InChIInChI=1S/C12H17N3O2/c1-3-10(9-14-13-2)7-8-15-11(16)5-4-6-12(15)17/h7-10H,2-6H2,1H3/b8-7+,14-9+
InChIKeyLWHOCGNAAMUDBU-HTEJKWGNSA-N
XLogP1.75
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[5-(Methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione
CID 123984374
1-[(Z)-5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione
CID 154469851
(Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one
CID 143244460

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione?
The IUPAC name of 1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione (CID 123693023) is 1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione is C=N/N=C/C(/C=C/N1C(=O)CCCC1=O)CC.
What is the InChIKey of 1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione?
The InChIKey is LWHOCGNAAMUDBU-HTEJKWGNSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-10(9-14-13-2)7-8-15-11(16)5-4-6-12(15)17/h7-10H,2-6H2,1H3/b8-7+,14-9+.
What are the key properties of 1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione?
1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione has a molecular weight of 235.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione is sourced from PubChem (CID 123693023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).