ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one

C14H27N3O — CID 142217273

IUPACethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one
SMILESC/N=C(C)/C=C\CC(=O)N1CCN(C)CC1.CC
InChIInChI=1S/C12H21N3O.C2H6/c1-11(13-2)5-4-6-12(16)15-9-7-14(3)8-10-15;1-2/h4-5H,6-10H2,1-3H3;1-2H3/b5-4-,13-11+;
InChIKeyHVZMREMNVNUOOR-IEBJYBRRSA-N
MW253.39 g/mol
LogP1.82
Rot. Bonds3

About ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one

ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one (PubChem CID 142217273) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one.

Molecular Properties

Compound Nameethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one
PubChem CID142217273
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Nameethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one
SMILESC/N=C(C)/C=C\CC(=O)N1CCN(C)CC1.CC
InChIInChI=1S/C12H21N3O.C2H6/c1-11(13-2)5-4-6-12(16)15-9-7-14(3)8-10-15;1-2/h4-5H,6-10H2,1-3H3;1-2H3/b5-4-,13-11+;
InChIKeyHVZMREMNVNUOOR-IEBJYBRRSA-N
XLogP1.82
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one?
The IUPAC name of ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one (CID 142217273) is ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one.
What is the SMILES notation for ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one?
The canonical SMILES for ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one is C/N=C(C)/C=C\CC(=O)N1CCN(C)CC1.CC.
What is the InChIKey of ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one?
The InChIKey is HVZMREMNVNUOOR-IEBJYBRRSA-N. The full InChI is InChI=1S/C12H21N3O.C2H6/c1-11(13-2)5-4-6-12(16)15-9-7-14(3)8-10-15;1-2/h4-5H,6-10H2,1-3H3;1-2H3/b5-4-,13-11+;.
What are the key properties of ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one?
ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one is sourced from PubChem (CID 142217273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).