4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide

C13H18N2O3 — CID 20619115

IUPAC4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C13H18N2O3/c1-14-13(18)10-4-2-9(3-5-10)8-15-11(16)6-7-12(15)17/h6-7,9-10H,2-5,8H2,1H3,(H,14,18)
InChIKeyTWJYSCHFPMQJTC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.46
Rot. Bonds3

About 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide

4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 20619115) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID20619115
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C13H18N2O3/c1-14-13(18)10-4-2-9(3-5-10)8-15-11(16)6-7-12(15)17/h6-7,9-10H,2-5,8H2,1H3,(H,14,18)
InChIKeyTWJYSCHFPMQJTC-UHFFFAOYSA-N
XLogP0.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide (CID 20619115) is 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is TWJYSCHFPMQJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-13(18)10-4-2-9(3-5-10)8-15-11(16)6-7-12(15)17/h6-7,9-10H,2-5,8H2,1H3,(H,14,18).
What are the key properties of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide?
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.46, 3 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)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 20619115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).