1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one

C13H21N3O — CID 145198421

IUPAC1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one
SMILESC=C(/C=N/C(C)=C\C)N1CCNC(C)(C)C1=O
InChIInChI=1S/C13H21N3O/c1-6-10(2)14-9-11(3)16-8-7-15-13(4,5)12(16)17/h6,9,15H,3,7-8H2,1-2,4-5H3/b10-6-,14-9+
InChIKeyMZBQNQPINYXREI-QGHFCHCFSA-N
MW235.33 g/mol
LogP1.71
Rot. Bonds3

About 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one

1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one (PubChem CID 145198421) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one
PubChem CID145198421
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one
SMILESC=C(/C=N/C(C)=C\C)N1CCNC(C)(C)C1=O
InChIInChI=1S/C13H21N3O/c1-6-10(2)14-9-11(3)16-8-7-15-13(4,5)12(16)17/h6,9,15H,3,7-8H2,1-2,4-5H3/b10-6-,14-9+
InChIKeyMZBQNQPINYXREI-QGHFCHCFSA-N
XLogP1.71
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one 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

1-(3-methyl-2H-azepin-6-yl)piperazin-2-one
CID 134406123
1-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]piperazin-2-one
CID 134406218
1-[(E)-1-ethyliminobut-2-en-2-yl]-4-(2-methylpropyl)piperazin-2-one
CID 134406342
1-(2-methyl-4H-azepin-6-yl)piperazin-2-one
CID 134406376
3,3-dimethyl-1-(2-methyl-4H-azepin-6-yl)piperazin-2-one
CID 134406393
3-methyl-1-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]piperazin-2-one
CID 134406472
N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide
CID 134406768
ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one
CID 145197752
Ethane;4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-2-one
CID 145197758
1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one;ethane
CID 145198420
2-[4-[(E)-1-methyliminopent-2-en-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 166670628
3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one
CID 177099944

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one (CID 145198421) is 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one is C=C(/C=N/C(C)=C\C)N1CCNC(C)(C)C1=O.
What is the InChIKey of 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one?
The InChIKey is MZBQNQPINYXREI-QGHFCHCFSA-N. The full InChI is InChI=1S/C13H21N3O/c1-6-10(2)14-9-11(3)16-8-7-15-13(4,5)12(16)17/h6,9,15H,3,7-8H2,1-2,4-5H3/b10-6-,14-9+.
What are the key properties of 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one?
1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 145198421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).