1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione

C18H24N2O6 — CID 176655327

IUPAC1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione
SMILESCOc1cc(N2C(=O)CCC2=O)ccc1CCC(O)N1C(O)CCC1O
InChIInChI=1S/C18H24N2O6/c1-26-13-10-12(19-14(21)6-7-15(19)22)4-2-11(13)3-5-16(23)20-17(24)8-9-18(20)25/h2,4,10,16-18,23-25H,3,5-9H2,1H3
InChIKeyIZHHUIABENYKKI-UHFFFAOYSA-N
MW364.40 g/mol
LogP0.33
Rot. Bonds6

About 1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione

1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione (PubChem CID 176655327) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione
PubChem CID176655327
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione
SMILESCOc1cc(N2C(=O)CCC2=O)ccc1CCC(O)N1C(O)CCC1O
InChIInChI=1S/C18H24N2O6/c1-26-13-10-12(19-14(21)6-7-15(19)22)4-2-11(13)3-5-16(23)20-17(24)8-9-18(20)25/h2,4,10,16-18,23-25H,3,5-9H2,1H3
InChIKeyIZHHUIABENYKKI-UHFFFAOYSA-N
XLogP0.33
TPSA110.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 129388716
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 22695567
1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione
CID 61351313
1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene
CID 64507317
N-cyclopropyl-2-[[5-(2,5-dioxopyrrolidin-1-yl)-2-methoxyphenyl]sulfonylamino]acetamide
CID 110305273
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 53358105
2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid
CID 170585784
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
(2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204277
N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 33101662
(5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8731766
1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
CID 157053560

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione (CID 176655327) is 1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione is COc1cc(N2C(=O)CCC2=O)ccc1CCC(O)N1C(O)CCC1O.
What is the InChIKey of 1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione?
The InChIKey is IZHHUIABENYKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-26-13-10-12(19-14(21)6-7-15(19)22)4-2-11(13)3-5-16(23)20-17(24)8-9-18(20)25/h2,4,10,16-18,23-25H,3,5-9H2,1H3.
What are the key properties of 1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione?
1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione has a molecular weight of 364.40 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2,5-dihydroxypyrrolidin-1-yl)-3-hydroxypropyl]-3-methoxyphenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 176655327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).