1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile

C11H12N2O2 — CID 55138934

IUPAC1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile
SMILESCC1=CC(=O)N(C2(C#N)CCCC2)C1=O
InChIInChI=1S/C11H12N2O2/c1-8-6-9(14)13(10(8)15)11(7-12)4-2-3-5-11/h6H,2-5H2,1H3
InChIKeyAJGRBEUXTYBUGQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.14
Rot. Bonds1

About 1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile

1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile (PubChem CID 55138934) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile
PubChem CID55138934
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile
SMILESCC1=CC(=O)N(C2(C#N)CCCC2)C1=O
InChIInChI=1S/C11H12N2O2/c1-8-6-9(14)13(10(8)15)11(7-12)4-2-3-5-11/h6H,2-5H2,1H3
InChIKeyAJGRBEUXTYBUGQ-UHFFFAOYSA-N
XLogP1.14
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
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 1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile (CID 55138934) is 1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile is CC1=CC(=O)N(C2(C#N)CCCC2)C1=O.
What is the InChIKey of 1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is AJGRBEUXTYBUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-6-9(14)13(10(8)15)11(7-12)4-2-3-5-11/h6H,2-5H2,1H3.
What are the key properties of 1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile?
1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 55138934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).