[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium

C16H19N2O2+ — CID 7439653

IUPAC[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)[C@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H18N2O2/c1-3-10-17(11-4-2)14-12-15(19)18(16(14)20)13-8-6-5-7-9-13/h3-9,14H,1-2,10-12H2/p+1/t14-/m0/s1
InChIKeyHDWZMALVXBUZMX-AWEZNQCLSA-O
MW271.34 g/mol
LogP0.58
Rot. Bonds6

About [(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium

[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium (PubChem CID 7439653) has the molecular formula C16H19N2O2+ and a molecular weight of 271.34 g/mol. Its IUPAC name is [(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium
PubChem CID7439653
Molecular FormulaC16H19N2O2+
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)[C@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H18N2O2/c1-3-10-17(11-4-2)14-12-15(19)18(16(14)20)13-8-6-5-7-9-13/h3-9,14H,1-2,10-12H2/p+1/t14-/m0/s1
InChIKeyHDWZMALVXBUZMX-AWEZNQCLSA-O
XLogP0.58
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434877
dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7434882
[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434876
(3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione
CID 894436
[(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium
CID 7303462
benzyl-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
CID 3488716
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]undec-10-enehydrazide
CID 7494358
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide
CID 23745245
(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 138974226
3-[3-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpropylsulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 132966697
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetic acid
CID 711215
(3aS,4S,6R,6aR)-6-ethenyl-2-phenyl-4-[(Z)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 162435839

Frequently Asked Questions

What is the IUPAC name of [(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium?
The IUPAC name of [(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium (CID 7439653) is [(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium.
What is the SMILES notation for [(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium?
The canonical SMILES for [(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium is C=CC[NH+](CC=C)[C@H]1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of [(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium?
The InChIKey is HDWZMALVXBUZMX-AWEZNQCLSA-O. The full InChI is InChI=1S/C16H18N2O2/c1-3-10-17(11-4-2)14-12-15(19)18(16(14)20)13-8-6-5-7-9-13/h3-9,14H,1-2,10-12H2/p+1/t14-/m0/s1.
What are the key properties of [(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium?
[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium has a molecular weight of 271.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium is sourced from PubChem (CID 7439653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).