2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide

C14H20N2O3 — CID 59514919

IUPAC2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide
SMILESCNC(=O)CC1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C14H20N2O3/c1-15-12(17)8-10-2-4-11(5-3-10)9-16-13(18)6-7-14(16)19/h6-7,10-11H,2-5,8-9H2,1H3,(H,15,17)
InChIKeyOEPJKECBEMXAHR-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.85
Rot. Bonds4

About 2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide

2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide (PubChem CID 59514919) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide
PubChem CID59514919
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide
SMILESCNC(=O)CC1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C14H20N2O3/c1-15-12(17)8-10-2-4-11(5-3-10)9-16-13(18)6-7-14(16)19/h6-7,10-11H,2-5,8-9H2,1H3,(H,15,17)
InChIKeyOEPJKECBEMXAHR-UHFFFAOYSA-N
XLogP0.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.85
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 2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide (CID 59514919) is 2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide is CNC(=O)CC1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide?
The InChIKey is OEPJKECBEMXAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-12(17)8-10-2-4-11(5-3-10)9-16-13(18)6-7-14(16)19/h6-7,10-11H,2-5,8-9H2,1H3,(H,15,17).
What are the key properties of 2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide?
2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide has a molecular weight of 264.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 59514919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).