4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid

C11H13NO4 — CID 19870282

IUPAC4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C11H13NO4/c13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16/h5-8H,1-4H2,(H,15,16)
InChIKeyNNDOEESKBCQZHZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.55
Rot. Bonds2

About 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid

4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 19870282) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid
PubChem CID19870282
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C11H13NO4/c13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16/h5-8H,1-4H2,(H,15,16)
InChIKeyNNDOEESKBCQZHZ-UHFFFAOYSA-N
XLogP0.55
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.55
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

4-(N-Maleimidomethyl)cyclohexane-1-carboxylic Acid
CID 11548799
4-(1-Methyl-2,5-dioxopyrrol-1-ium-1-yl)cyclohexane-1-carboxylic acid
CID 18512668
4-(2,5-Dioxopyrrol-1-yl)-1-sulfocyclohexane-1-carboxylic acid
CID 22620675
4-(2,5-Dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylic acid
CID 23325265
4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid;hydrochloride
CID 24763399
2-Cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetic acid
CID 54902244
(2,5-Dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexanecarboxylate
CID 59459672
4-(Prop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 60808068
3-(2,5-Dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid
CID 63042764
4-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid
CID 63266196
2-(2,5-Dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid
CID 64817617
Methyl 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate
CID 91119957

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid (CID 19870282) is 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(N2C(=O)C=CC2=O)CC1.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is NNDOEESKBCQZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16/h5-8H,1-4H2,(H,15,16).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid?
4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 19870282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).