3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione

C16H20N2O2 — CID 71669978

IUPAC3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
SMILESCC(C)c1ccc(N2C(=O)CC(NC3CC3)C2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-10(2)11-3-7-13(8-4-11)18-15(19)9-14(16(18)20)17-12-5-6-12/h3-4,7-8,10,12,14,17H,5-6,9H2,1-2H3
InChIKeyWHHBVPVLDYDWCR-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.19
Rot. Bonds4

About 3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione

3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione (PubChem CID 71669978) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
PubChem CID71669978
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
SMILESCC(C)c1ccc(N2C(=O)CC(NC3CC3)C2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-10(2)11-3-7-13(8-4-11)18-15(19)9-14(16(18)20)17-12-5-6-12/h3-4,7-8,10,12,14,17H,5-6,9H2,1-2H3
InChIKeyWHHBVPVLDYDWCR-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 3135056
1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione
CID 2949824
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 822055
(3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione
CID 706670
(3S)-3-(cyclopropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 92693012
3-(cyclopropylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 71670680
4-(4-propan-2-ylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 2872644
1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione
CID 2997082
3-(cyclopropylamino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 71670678
(3R)-3-(cyclopropylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 40561365
N'-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 3768777

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione (CID 71669978) is 3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione is CC(C)c1ccc(N2C(=O)CC(NC3CC3)C2=O)cc1.
What is the InChIKey of 3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The InChIKey is WHHBVPVLDYDWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)11-3-7-13(8-4-11)18-15(19)9-14(16(18)20)17-12-5-6-12/h3-4,7-8,10,12,14,17H,5-6,9H2,1-2H3.
What are the key properties of 3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 71669978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).