3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione

C17H22N2O2 — CID 107417757

IUPAC3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione
SMILESCC1CCCC1CNC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-13(12)11-18-15-10-16(20)19(17(15)21)14-8-3-2-4-9-14/h2-4,8-9,12-13,15,18H,5-7,10-11H2,1H3
InChIKeyJYMFAWQUTGJBAN-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.34
Rot. Bonds4

About 3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione

3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 107417757) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione
PubChem CID107417757
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione
SMILESCC1CCCC1CNC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-13(12)11-18-15-10-16(20)19(17(15)21)14-8-3-2-4-9-14/h2-4,8-9,12-13,15,18H,5-7,10-11H2,1H3
InChIKeyJYMFAWQUTGJBAN-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.34
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-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione
CID 63277861
(3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione
CID 124775786
(3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820458
1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
CID 53440488
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid
CID 51602829
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 3135049
1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
CID 83142541
(3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane
CID 143987049
(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820411

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione (CID 107417757) is 3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione is CC1CCCC1CNC1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is JYMFAWQUTGJBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-5-7-13(12)11-18-15-10-16(20)19(17(15)21)14-8-3-2-4-9-14/h2-4,8-9,12-13,15,18H,5-7,10-11H2,1H3.
What are the key properties of 3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 286.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 107417757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).