cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium

C16H21N2O3+ — CID 4744551

IUPACcyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
SMILESCOc1ccc(N2C(=O)CC([NH2+]C3CCCC3)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-21-13-8-6-12(7-9-13)18-15(19)10-14(16(18)20)17-11-4-2-3-5-11/h6-9,11,14,17H,2-5,10H2,1H3/p+1
InChIKeyKPYXNGHCODTBBE-UHFFFAOYSA-O
MW289.36 g/mol
LogP0.83
Rot. Bonds4

About cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium

cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium (PubChem CID 4744551) has the molecular formula C16H21N2O3+ and a molecular weight of 289.36 g/mol. Its IUPAC name is cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium.

Molecular Properties

Compound Namecyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
PubChem CID4744551
Molecular FormulaC16H21N2O3+
Molecular Weight289.36 g/mol
Exact Mass289.15
IUPAC Namecyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
SMILESCOc1ccc(N2C(=O)CC([NH2+]C3CCCC3)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-21-13-8-6-12(7-9-13)18-15(19)10-14(16(18)20)17-11-4-2-3-5-11/h6-9,11,14,17H,2-5,10H2,1H3/p+1
InChIKeyKPYXNGHCODTBBE-UHFFFAOYSA-O
XLogP0.83
TPSA63.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.83
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

[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium
CID 7471061
cyclohexyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7329489
cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4743964
[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7353317
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 6923610
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium
CID 4068669
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 102380691
(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 822055
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(3R)-2-oxoazepan-3-yl]azanium
CID 6923624
[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-methoxyphenyl)ethyl]azanium
CID 6968752
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium
CID 7320954

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The IUPAC name of cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium (CID 4744551) is cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium.
What is the SMILES notation for cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The canonical SMILES for cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium is COc1ccc(N2C(=O)CC([NH2+]C3CCCC3)C2=O)cc1.
What is the InChIKey of cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The InChIKey is KPYXNGHCODTBBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20N2O3/c1-21-13-8-6-12(7-9-13)18-15(19)10-14(16(18)20)17-11-4-2-3-5-11/h6-9,11,14,17H,2-5,10H2,1H3/p+1.
What are the key properties of cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium has a molecular weight of 289.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium is sourced from PubChem (CID 4744551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).