1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one

C10H13NO2 — CID 13011424

IUPAC1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one
SMILESC/C=C/C=C/C(=O)N1CCCC1=O
InChIInChI=1S/C10H13NO2/c1-2-3-4-6-9(12)11-8-5-7-10(11)13/h2-4,6H,5,7-8H2,1H3/b3-2+,6-4+
InChIKeyZEDYIRPVXPRQJT-WJPDYIDTSA-N
MW179.22 g/mol
LogP1.27
Rot. Bonds2

About 1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one

1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one (PubChem CID 13011424) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one
PubChem CID13011424
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one
SMILESC/C=C/C=C/C(=O)N1CCCC1=O
InChIInChI=1S/C10H13NO2/c1-2-3-4-6-9(12)11-8-5-7-10(11)13/h2-4,6H,5,7-8H2,1H3/b3-2+,6-4+
InChIKeyZEDYIRPVXPRQJT-WJPDYIDTSA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Pyrrolidine, 1-(1-oxo-2-butenyl)-
CID 5463261
1-(1-Oxo-2-butenyl)pyrrolidine
CID 142892
2-Pyrrolidinone, 1-(1-oxo-2-propenyl)-
CID 543203
Pyrrolidin-2-one, N-crotonoyl-
CID 5365844
1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one
CID 135084072
Succinimide, N-(E-2-buten-1-one-1-yl)-
CID 5366087
N-(gamma-maleimidobutyryl)succinimide
CID 17961676
1-[(E)-but-2-enyl]pyrrolidine-2,5-dione
CID 14942503
1-[(E)-4-methylpent-2-enoyl]pyrrolidin-2-one
CID 11252348
Variotin B
CID 170990270
1-(3-Methylbut-2-enoyl)pyrrolidin-2-one
CID 11062777
1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione
CID 145491476

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one (CID 13011424) is 1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one is C/C=C/C=C/C(=O)N1CCCC1=O.
What is the InChIKey of 1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one?
The InChIKey is ZEDYIRPVXPRQJT-WJPDYIDTSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-3-4-6-9(12)11-8-5-7-10(11)13/h2-4,6H,5,7-8H2,1H3/b3-2+,6-4+.
What are the key properties of 1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one?
1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one is sourced from PubChem (CID 13011424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).