(6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione

C13H18N2O3 — CID 143566931

IUPAC(6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione
SMILESC=C/C=C(\C=C/C)CN1C(=O)CNC(=O)[C@H]1CO
InChIInChI=1S/C13H18N2O3/c1-3-5-10(6-4-2)8-15-11(9-16)13(18)14-7-12(15)17/h3-6,11,16H,1,7-9H2,2H3,(H,14,18)/b6-4-,10-5+/t11-/m1/s1
InChIKeyZCEMFZIZZYKALK-USFFVRPBSA-N
MW250.30 g/mol
LogP-0.01
Rot. Bonds5

About (6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione

(6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione (PubChem CID 143566931) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione
PubChem CID143566931
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione
SMILESC=C/C=C(\C=C/C)CN1C(=O)CNC(=O)[C@H]1CO
InChIInChI=1S/C13H18N2O3/c1-3-5-10(6-4-2)8-15-11(9-16)13(18)14-7-12(15)17/h3-6,11,16H,1,7-9H2,2H3,(H,14,18)/b6-4-,10-5+/t11-/m1/s1
InChIKeyZCEMFZIZZYKALK-USFFVRPBSA-N
XLogP-0.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione?
The IUPAC name of (6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione (CID 143566931) is (6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione.
What is the SMILES notation for (6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione?
The canonical SMILES for (6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione is C=C/C=C(\C=C/C)CN1C(=O)CNC(=O)[C@H]1CO.
What is the InChIKey of (6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione?
The InChIKey is ZCEMFZIZZYKALK-USFFVRPBSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-5-10(6-4-2)8-15-11(9-16)13(18)14-7-12(15)17/h3-6,11,16H,1,7-9H2,2H3,(H,14,18)/b6-4-,10-5+/t11-/m1/s1.
What are the key properties of (6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione?
(6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione has a molecular weight of 250.30 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(hydroxymethyl)-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine-2,5-dione is sourced from PubChem (CID 143566931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).