1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one

C11H16N2O — CID 143207653

IUPAC1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one
SMILESC=C/C=C(\C=C)N1CCN(C)CC1=O
InChIInChI=1S/C11H16N2O/c1-4-6-10(5-2)13-8-7-12(3)9-11(13)14/h4-6H,1-2,7-9H2,3H3/b10-6+
InChIKeySDIFPOBFUUZYGP-UXBLZVDNSA-N
MW192.26 g/mol
LogP1.02
Rot. Bonds3

About 1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one

1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one (PubChem CID 143207653) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one
PubChem CID143207653
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one
SMILESC=C/C=C(\C=C)N1CCN(C)CC1=O
InChIInChI=1S/C11H16N2O/c1-4-6-10(5-2)13-8-7-12(3)9-11(13)14/h4-6H,1-2,7-9H2,3H3/b10-6+
InChIKeySDIFPOBFUUZYGP-UXBLZVDNSA-N
XLogP1.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.02
H-Bond Donors ≤ 50
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-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one?
The IUPAC name of 1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one (CID 143207653) is 1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one.
What is the SMILES notation for 1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one?
The canonical SMILES for 1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one is C=C/C=C(\C=C)N1CCN(C)CC1=O.
What is the InChIKey of 1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one?
The InChIKey is SDIFPOBFUUZYGP-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-6-10(5-2)13-8-7-12(3)9-11(13)14/h4-6H,1-2,7-9H2,3H3/b10-6+.
What are the key properties of 1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one?
1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpiperazin-2-one is sourced from PubChem (CID 143207653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).