4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxamide

C11H14N2O3 — CID 118680637

IUPAC4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C11H14N2O3/c12-11(16)7-1-3-8(4-2-7)13-9(14)5-6-10(13)15/h5-8H,1-4H2,(H2,12,16)
InChIKeyITSNWRLGTGYMGL-UHFFFAOYSA-N
MW222.24 g/mol
LogP-0.04
Rot. Bonds2

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

4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxamide (PubChem CID 118680637) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxamide
PubChem CID118680637
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C11H14N2O3/c12-11(16)7-1-3-8(4-2-7)13-9(14)5-6-10(13)15/h5-8H,1-4H2,(H2,12,16)
InChIKeyITSNWRLGTGYMGL-UHFFFAOYSA-N
XLogP-0.04
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxamide (CID 118680637) is 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxamide is NC(=O)C1CCC(N2C(=O)C=CC2=O)CC1.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is ITSNWRLGTGYMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-11(16)7-1-3-8(4-2-7)13-9(14)5-6-10(13)15/h5-8H,1-4H2,(H2,12,16).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxamide?
4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 222.24 g/mol, XLogP of -0.04, 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-carboxamide is sourced from PubChem (CID 118680637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).