1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one

C11H18N2O — CID 138483667

IUPAC1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one
SMILESC=C/C=C\CC(C)N1CCNCC1=O
InChIInChI=1S/C11H18N2O/c1-3-4-5-6-10(2)13-8-7-12-9-11(13)14/h3-5,10,12H,1,6-9H2,2H3/b5-4-
InChIKeyIYVGFSKHJCTSIY-PLNGDYQASA-N
MW194.28 g/mol
LogP0.94
Rot. Bonds4

About 1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one

1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one (PubChem CID 138483667) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one
PubChem CID138483667
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one
SMILESC=C/C=C\CC(C)N1CCNCC1=O
InChIInChI=1S/C11H18N2O/c1-3-4-5-6-10(2)13-8-7-12-9-11(13)14/h3-5,10,12H,1,6-9H2,2H3/b5-4-
InChIKeyIYVGFSKHJCTSIY-PLNGDYQASA-N
XLogP0.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.94
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-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one?
The IUPAC name of 1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one (CID 138483667) is 1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one.
What is the SMILES notation for 1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one?
The canonical SMILES for 1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one is C=C/C=C\CC(C)N1CCNCC1=O.
What is the InChIKey of 1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one?
The InChIKey is IYVGFSKHJCTSIY-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-5-6-10(2)13-8-7-12-9-11(13)14/h3-5,10,12H,1,6-9H2,2H3/b5-4-.
What are the key properties of 1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one?
1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one has a molecular weight of 194.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one is sourced from PubChem (CID 138483667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).