5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one

C9H13NO — CID 11252109

IUPAC5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one
SMILESC=C/C(=C\C)C1CCC(=O)N1
InChIInChI=1S/C9H13NO/c1-3-7(4-2)8-5-6-9(11)10-8/h3-4,8H,1,5-6H2,2H3,(H,10,11)/b7-4+
InChIKeyVFBWLCSVARXTLZ-QPJJXVBHSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds2

About 5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one

5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one (PubChem CID 11252109) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one
PubChem CID11252109
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one
SMILESC=C/C(=C\C)C1CCC(=O)N1
InChIInChI=1S/C9H13NO/c1-3-7(4-2)8-5-6-9(11)10-8/h3-4,8H,1,5-6H2,2H3,(H,10,11)/b7-4+
InChIKeyVFBWLCSVARXTLZ-QPJJXVBHSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one?
The IUPAC name of 5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one (CID 11252109) is 5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one?
The canonical SMILES for 5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one is C=C/C(=C\C)C1CCC(=O)N1.
What is the InChIKey of 5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one?
The InChIKey is VFBWLCSVARXTLZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-7(4-2)8-5-6-9(11)10-8/h3-4,8H,1,5-6H2,2H3,(H,10,11)/b7-4+.
What are the key properties of 5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one?
5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3E)-penta-1,3-dien-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 11252109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).