ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one

C15H27N3O — CID 145197752

IUPACethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one
SMILESC=C/C=C(C)\N=C\C(C)CN1CCNC(=O)C1.CC
InChIInChI=1S/C13H21N3O.C2H6/c1-4-5-12(3)15-8-11(2)9-16-7-6-14-13(17)10-16;1-2/h4-5,8,11H,1,6-7,9-10H2,2-3H3,(H,14,17);1-2H3/b12-5-,15-8+;
InChIKeyUYDIDUBQYGPZDJ-FVWXEACDSA-N
MW265.40 g/mol
LogP2.24
Rot. Bonds5

About ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one

ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one (PubChem CID 145197752) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one.

Molecular Properties

Compound Nameethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one
PubChem CID145197752
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Nameethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one
SMILESC=C/C=C(C)\N=C\C(C)CN1CCNC(=O)C1.CC
InChIInChI=1S/C13H21N3O.C2H6/c1-4-5-12(3)15-8-11(2)9-16-7-6-14-13(17)10-16;1-2/h4-5,8,11H,1,6-7,9-10H2,2-3H3,(H,14,17);1-2H3/b12-5-,15-8+;
InChIKeyUYDIDUBQYGPZDJ-FVWXEACDSA-N
XLogP2.24
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one with MolForge

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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
3-methyl-1-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]piperazin-2-one
CID 134406472
5,5-dimethyl-1-(7-methyl-3H-azepin-4-yl)piperazin-2-one
CID 134406657
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
4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one
CID 145197753
4-[2-(Prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-2-one
CID 145197759
1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one
CID 145198421

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one?
The IUPAC name of ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one (CID 145197752) is ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one.
What is the SMILES notation for ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one?
The canonical SMILES for ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one is C=C/C=C(C)\N=C\C(C)CN1CCNC(=O)C1.CC.
What is the InChIKey of ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one?
The InChIKey is UYDIDUBQYGPZDJ-FVWXEACDSA-N. The full InChI is InChI=1S/C13H21N3O.C2H6/c1-4-5-12(3)15-8-11(2)9-16-7-6-14-13(17)10-16;1-2/h4-5,8,11H,1,6-7,9-10H2,2-3H3,(H,14,17);1-2H3/b12-5-,15-8+;.
What are the key properties of ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one?
ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one has a molecular weight of 265.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-methyl-3-[(2Z)-penta-2,4-dien-2-yl]iminopropyl]piperazin-2-one is sourced from PubChem (CID 145197752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).