(3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione

C16H18N2O2 — CID 894436

IUPAC(3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione
SMILESC=CCN(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/t14-/m1/s1
InChIKeyHDWZMALVXBUZMX-CQSZACIVSA-N
MW270.33 g/mol
LogP1.99
Rot. Bonds6

About (3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione

(3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 894436) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione
PubChem CID894436
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione
SMILESC=CCN(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/t14-/m1/s1
InChIKeyHDWZMALVXBUZMX-CQSZACIVSA-N
XLogP1.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide
CID 23745245
(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 1022325
1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenyl-1-prop-2-enylurea
CID 2958421
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylbenzenesulfonamide
CID 23830738
[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium
CID 7439653
(3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 7303465
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxy-N-prop-2-enylacetamide
CID 23772955
methyl 4-[2,5-dioxo-3-[(2-phenylacetyl)-prop-2-enylamino]pyrrolidin-1-yl]benzoate
CID 23943055
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23943061
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide
CID 23859389
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]undec-10-enehydrazide
CID 7494358

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione (CID 894436) is (3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione is C=CCN(CC=C)[C@@H]1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is HDWZMALVXBUZMX-CQSZACIVSA-N. 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/t14-/m1/s1.
What are the key properties of (3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione?
(3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 270.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 894436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).