1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione

C14H17NO4 — CID 59172842

IUPAC1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1cccc(C2CC(=O)N(OC)C2=O)c1
InChIInChI=1S/C14H17NO4/c1-3-7-19-11-6-4-5-10(8-11)12-9-13(16)15(18-2)14(12)17/h4-6,8,12H,3,7,9H2,1-2H3
InChIKeyRLVYHGUMHDKIBU-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.88
Rot. Bonds5

About 1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione

1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 59172842) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID59172842
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1cccc(C2CC(=O)N(OC)C2=O)c1
InChIInChI=1S/C14H17NO4/c1-3-7-19-11-6-4-5-10(8-11)12-9-13(16)15(18-2)14(12)17/h4-6,8,12H,3,7,9H2,1-2H3
InChIKeyRLVYHGUMHDKIBU-UHFFFAOYSA-N
XLogP1.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 177405211
(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 53466595
(4R)-1-methoxy-4-(3-methoxyphenyl)-6,8-dimethyl-3,4-dihydroquinolin-2-one
CID 144913515
4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one
CID 54792593
5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione
CID 114239608
1-[2-(chloromethyl)cyclopropyl]-3-propoxybenzene
CID 81358665
3-(4-methoxyphenyl)-5-oxo-7-(3-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 53047179
(4S)-3-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-(3-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136758440
(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine
CID 143447260
N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine
CID 62704932
3-methyl-6-propoxy-2,3-dihydroinden-1-one
CID 63820814
5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one
CID 79967643

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione (CID 59172842) is 1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione is CCCOc1cccc(C2CC(=O)N(OC)C2=O)c1.
What is the InChIKey of 1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is RLVYHGUMHDKIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-7-19-11-6-4-5-10(8-11)12-9-13(16)15(18-2)14(12)17/h4-6,8,12H,3,7,9H2,1-2H3.
What are the key properties of 1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione?
1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 263.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59172842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).