1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one

C10H15NO — CID 142987617

IUPAC1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one
SMILESC/C=C\C=C(/C)N1CCCC1=O
InChIInChI=1S/C10H15NO/c1-3-4-6-9(2)11-8-5-7-10(11)12/h3-4,6H,5,7-8H2,1-2H3/b4-3-,9-6+
InChIKeyLWMFTHRZZMDERO-ZNUQQGBJSA-N
MW165.24 g/mol
LogP2.09
Rot. Bonds2

About 1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one

1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one (PubChem CID 142987617) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one
PubChem CID142987617
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one
SMILESC/C=C\C=C(/C)N1CCCC1=O
InChIInChI=1S/C10H15NO/c1-3-4-6-9(2)11-8-5-7-10(11)12/h3-4,6H,5,7-8H2,1-2H3/b4-3-,9-6+
InChIKeyLWMFTHRZZMDERO-ZNUQQGBJSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
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 1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one (CID 142987617) is 1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one is C/C=C\C=C(/C)N1CCCC1=O.
What is the InChIKey of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one?
The InChIKey is LWMFTHRZZMDERO-ZNUQQGBJSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-4-6-9(2)11-8-5-7-10(11)12/h3-4,6H,5,7-8H2,1-2H3/b4-3-,9-6+.
What are the key properties of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one?
1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 142987617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).