1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione

C16H18N2O3 — CID 24540069

IUPAC1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCCC1
InChIInChI=1S/C16H18N2O3/c19-14-7-8-15(20)18(14)11-12-3-5-13(6-4-12)16(21)17-9-1-2-10-17/h3-6H,1-2,7-11H2
InChIKeyYZOSTEDIZWWGBR-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.57
Rot. Bonds3

About 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione

1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 24540069) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID24540069
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCCC1
InChIInChI=1S/C16H18N2O3/c19-14-7-8-15(20)18(14)11-12-3-5-13(6-4-12)16(21)17-9-1-2-10-17/h3-6H,1-2,7-11H2
InChIKeyYZOSTEDIZWWGBR-UHFFFAOYSA-N
XLogP1.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 167938471
1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
CID 119401688
1-[[4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 134010109
4-[(2,7-dioxoazepan-1-yl)methyl]benzoic acid
CID 43446723
1-benzyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 53135752
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 35343180
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
2-(4-chlorophenyl)-4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 53003708
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
1-[[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 27809884
1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 55600868
1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 55733051

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione (CID 24540069) is 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione is O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCCC1.
What is the InChIKey of 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is YZOSTEDIZWWGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14-7-8-15(20)18(14)11-12-3-5-13(6-4-12)16(21)17-9-1-2-10-17/h3-6H,1-2,7-11H2.
What are the key properties of 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 286.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 24540069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).