cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium

C16H21N2O2+ — CID 4743964

IUPACcyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
SMILESO=C1CC([NH2+]C2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H20N2O2/c19-15-11-14(17-12-7-3-1-4-8-12)16(20)18(15)13-9-5-2-6-10-13/h2,5-6,9-10,12,14,17H,1,3-4,7-8,11H2/p+1
InChIKeyWPHZEODLJNHGHI-UHFFFAOYSA-O
MW273.36 g/mol
LogP1.21
Rot. Bonds3

About cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium

cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium (PubChem CID 4743964) has the molecular formula C16H21N2O2+ and a molecular weight of 273.36 g/mol. Its IUPAC name is cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium.

Molecular Properties

Compound Namecyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
PubChem CID4743964
Molecular FormulaC16H21N2O2+
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Namecyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
SMILESO=C1CC([NH2+]C2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H20N2O2/c19-15-11-14(17-12-7-3-1-4-8-12)16(20)18(15)13-9-5-2-6-10-13/h2,5-6,9-10,12,14,17H,1,3-4,7-8,11H2/p+1
InChIKeyWPHZEODLJNHGHI-UHFFFAOYSA-O
XLogP1.21
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7329489
cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4744551
cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7439607
(3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane
CID 143987049
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium
CID 3302744
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium
CID 7471061
2-(4-chlorophenyl)ethyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4993829
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium
CID 4068669
(3R)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 7074122
3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione
CID 63277861
(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 138974226

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium?
The IUPAC name of cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium (CID 4743964) is cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium.
What is the SMILES notation for cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium?
The canonical SMILES for cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium is O=C1CC([NH2+]C2CCCCC2)C(=O)N1c1ccccc1.
What is the InChIKey of cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium?
The InChIKey is WPHZEODLJNHGHI-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20N2O2/c19-15-11-14(17-12-7-3-1-4-8-12)16(20)18(15)13-9-5-2-6-10-13/h2,5-6,9-10,12,14,17H,1,3-4,7-8,11H2/p+1.
What are the key properties of cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium?
cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium has a molecular weight of 273.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium is sourced from PubChem (CID 4743964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).