1-penta-1,3-dienylpyrrolidin-2-one

C9H13NO — CID 170549947

IUPAC1-penta-1,3-dienylpyrrolidin-2-one
SMILESCC=CC=CN1CCCC1=O
InChIInChI=1S/C9H13NO/c1-2-3-4-7-10-8-5-6-9(10)11/h2-4,7H,5-6,8H2,1H3
InChIKeyIEYZCARKWGHPHC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.70
Rot. Bonds2

About 1-penta-1,3-dienylpyrrolidin-2-one

1-penta-1,3-dienylpyrrolidin-2-one (PubChem CID 170549947) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-penta-1,3-dienylpyrrolidin-2-one.

Molecular Properties

Compound Name1-penta-1,3-dienylpyrrolidin-2-one
PubChem CID170549947
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-penta-1,3-dienylpyrrolidin-2-one
SMILESCC=CC=CN1CCCC1=O
InChIInChI=1S/C9H13NO/c1-2-3-4-7-10-8-5-6-9(10)11/h2-4,7H,5-6,8H2,1H3
InChIKeyIEYZCARKWGHPHC-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-2-iodoethenyl]pyrrolidin-2-one
CID 124586002
1-[(E)-3-oxobut-1-enyl]pyrrolidin-2-one
CID 131233341
1-buta-1,3-dienylpyrrolidin-2-one;thiophene
CID 175032170
acetic acid;1-(2-hydroperoxyethenyl)pyrrolidin-2-one
CID 173024590
1-[(E)-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one
CID 89021669
1-[(Z)-2-(2-methoxyphenyl)ethenyl]pyrrolidin-2-one
CID 102415035
1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one
CID 22992740
1-(2,2-dihydroxyethenyl)pyrrolidin-2-one
CID 175238388
1-(cycloheptylidenemethyl)pyrrolidin-2-one
CID 102490481
ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate
CID 54519664
CID 118536399
CID 118536399
1-[(E)-but-2-enoyl]piperidin-2-one
CID 101396423

Frequently Asked Questions

What is the IUPAC name of 1-penta-1,3-dienylpyrrolidin-2-one?
The IUPAC name of 1-penta-1,3-dienylpyrrolidin-2-one (CID 170549947) is 1-penta-1,3-dienylpyrrolidin-2-one.
What is the SMILES notation for 1-penta-1,3-dienylpyrrolidin-2-one?
The canonical SMILES for 1-penta-1,3-dienylpyrrolidin-2-one is CC=CC=CN1CCCC1=O.
What is the InChIKey of 1-penta-1,3-dienylpyrrolidin-2-one?
The InChIKey is IEYZCARKWGHPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-3-4-7-10-8-5-6-9(10)11/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 1-penta-1,3-dienylpyrrolidin-2-one?
1-penta-1,3-dienylpyrrolidin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-1,3-dienylpyrrolidin-2-one is sourced from PubChem (CID 170549947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).