1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one

C12H18N2O — CID 89154088

IUPAC1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one
SMILESC=C(C)/C=C\C(=C/C)N1CCNCC1=O
InChIInChI=1S/C12H18N2O/c1-4-11(6-5-10(2)3)14-8-7-13-9-12(14)15/h4-6,13H,2,7-9H2,1,3H3/b6-5-,11-4-
InChIKeyHJJCSZYDOKSITC-XJPIMNPLSA-N
MW206.29 g/mol
LogP1.45
Rot. Bonds3

About 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one

1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one (PubChem CID 89154088) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one
PubChem CID89154088
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one
SMILESC=C(C)/C=C\C(=C/C)N1CCNCC1=O
InChIInChI=1S/C12H18N2O/c1-4-11(6-5-10(2)3)14-8-7-13-9-12(14)15/h4-6,13H,2,7-9H2,1,3H3/b6-5-,11-4-
InChIKeyHJJCSZYDOKSITC-XJPIMNPLSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one?
The IUPAC name of 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one (CID 89154088) is 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one?
The canonical SMILES for 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one is C=C(C)/C=C\C(=C/C)N1CCNCC1=O.
What is the InChIKey of 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one?
The InChIKey is HJJCSZYDOKSITC-XJPIMNPLSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-11(6-5-10(2)3)14-8-7-13-9-12(14)15/h4-6,13H,2,7-9H2,1,3H3/b6-5-,11-4-.
What are the key properties of 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one?
1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]piperazin-2-one is sourced from PubChem (CID 89154088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).