1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione

C12H17N3O2 — CID 123984374

IUPAC1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione
SMILESC=NC=C/C(CCN1C(=O)CCCC1=O)=N\C
InChIInChI=1S/C12H17N3O2/c1-13-8-6-10(14-2)7-9-15-11(16)4-3-5-12(15)17/h6,8H,1,3-5,7,9H2,2H3/b8-6?,14-10+
InChIKeyRQUGDZLTSQTFMO-PWOGOMBESA-N
MW235.29 g/mol
LogP1.20
Rot. Bonds5

About 1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione

1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione (PubChem CID 123984374) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione
PubChem CID123984374
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione
SMILESC=NC=C/C(CCN1C(=O)CCCC1=O)=N\C
InChIInChI=1S/C12H17N3O2/c1-13-8-6-10(14-2)7-9-15-11(16)4-3-5-12(15)17/h6,8H,1,3-5,7,9H2,2H3/b8-6?,14-10+
InChIKeyRQUGDZLTSQTFMO-PWOGOMBESA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3,4-dihydropyridine-2-carboxamide
CID 58752925
N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane
CID 91507600
1-[(E)-3-[(E)-(methylidenehydrazinylidene)methyl]pent-1-enyl]piperidine-2,6-dione
CID 123693023
1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione
CID 147162262
1-[(Z)-5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione
CID 154469851

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione?
The IUPAC name of 1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione (CID 123984374) is 1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione?
The canonical SMILES for 1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione is C=NC=C/C(CCN1C(=O)CCCC1=O)=N\C.
What is the InChIKey of 1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione?
The InChIKey is RQUGDZLTSQTFMO-PWOGOMBESA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-8-6-10(14-2)7-9-15-11(16)4-3-5-12(15)17/h6,8H,1,3-5,7,9H2,2H3/b8-6?,14-10+.
What are the key properties of 1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione?
1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione has a molecular weight of 235.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione is sourced from PubChem (CID 123984374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).