[(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium

C15H17N2O2+ — CID 2166888

IUPAC[(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium
SMILESC[NH+](C)/C=C/C=C1\CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H16N2O2/c1-16(2)10-6-7-12-11-14(18)17(15(12)19)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3/p+1/b10-6+,12-7+
InChIKeySNADLNWTQWDSFM-QXZILWSFSA-O
MW257.31 g/mol
LogP0.53
Rot. Bonds3

About [(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium

[(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium (PubChem CID 2166888) has the molecular formula C15H17N2O2+ and a molecular weight of 257.31 g/mol. Its IUPAC name is [(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium.

Molecular Properties

Compound Name[(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium
PubChem CID2166888
Molecular FormulaC15H17N2O2+
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name[(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium
SMILESC[NH+](C)/C=C/C=C1\CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H16N2O2/c1-16(2)10-6-7-12-11-14(18)17(15(12)19)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3/p+1/b10-6+,12-7+
InChIKeySNADLNWTQWDSFM-QXZILWSFSA-O
XLogP0.53
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium?
The IUPAC name of [(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium (CID 2166888) is [(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium.
What is the SMILES notation for [(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium?
The canonical SMILES for [(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium is C[NH+](C)/C=C/C=C1\CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of [(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium?
The InChIKey is SNADLNWTQWDSFM-QXZILWSFSA-O. The full InChI is InChI=1S/C15H16N2O2/c1-16(2)10-6-7-12-11-14(18)17(15(12)19)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3/p+1/b10-6+,12-7+.
What are the key properties of [(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium?
[(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium has a molecular weight of 257.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium is sourced from PubChem (CID 2166888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).