2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid

C12H15NO4 — CID 54902244

IUPAC2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid
SMILESO=C(O)C(C1CCCCC1)N1C(=O)C=CC1=O
InChIInChI=1S/C12H15NO4/c14-9-6-7-10(15)13(9)11(12(16)17)8-4-2-1-3-5-8/h6-8,11H,1-5H2,(H,16,17)
InChIKeyLZNNPVUAJVETMY-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.94
Rot. Bonds3

About 2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid

2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid (PubChem CID 54902244) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid
PubChem CID54902244
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid
SMILESO=C(O)C(C1CCCCC1)N1C(=O)C=CC1=O
InChIInChI=1S/C12H15NO4/c14-9-6-7-10(15)13(9)11(12(16)17)8-4-2-1-3-5-8/h6-8,11H,1-5H2,(H,16,17)
InChIKeyLZNNPVUAJVETMY-UHFFFAOYSA-N
XLogP0.94
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(N-Maleimidomethyl)cyclohexane-1-carboxylic Acid
CID 11548799
Maleimidoundecanoic acid
CID 18477222
4-(Maleimidoethyl)cyclohexane carboxylic acid
CID 54129126
2-(3-Methyl-2,5-dioxopyrrol-1-yl)undecanoic acid
CID 17793852
1-(1-Methyl-2,5-dioxopyrrol-1-ium-1-yl)cyclohexane-1-carboxylate
CID 19604116
1-(1-Methyl-2,5-dioxopyrrol-1-ium-1-yl)cyclohexane-1-carboxylic acid
CID 19604117
4-(2,5-Dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid
CID 19870282
2-(2,5-Dioxopyrrol-1-yl)octanoic acid
CID 21116846
2-(2,5-Dioxopyrrol-1-yl)nonanoic acid
CID 22114212
2-(2,5-Dioxopyrrol-1-yl)heptanoic acid
CID 22114215
2-(2,5-Dioxopyrrol-1-yl)dodecanoic acid
CID 22114224
4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid;hydrochloride
CID 24763399

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid (CID 54902244) is 2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid is O=C(O)C(C1CCCCC1)N1C(=O)C=CC1=O.
What is the InChIKey of 2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid?
The InChIKey is LZNNPVUAJVETMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-9-6-7-10(15)13(9)11(12(16)17)8-4-2-1-3-5-8/h6-8,11H,1-5H2,(H,16,17).
What are the key properties of 2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid?
2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid has a molecular weight of 237.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid is sourced from PubChem (CID 54902244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).