1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile

C13H18N2O2 — CID 62932072

IUPAC1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESCC1(C)CC(=O)N(C2(C#N)CCCC2)C(=O)C1
InChIInChI=1S/C13H18N2O2/c1-12(2)7-10(16)15(11(17)8-12)13(9-14)5-3-4-6-13/h3-8H2,1-2H3
InChIKeyYOSCACXZGFRJQF-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.00
Rot. Bonds1

About 1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile

1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 62932072) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile
PubChem CID62932072
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESCC1(C)CC(=O)N(C2(C#N)CCCC2)C(=O)C1
InChIInChI=1S/C13H18N2O2/c1-12(2)7-10(16)15(11(17)8-12)13(9-14)5-3-4-6-13/h3-8H2,1-2H3
InChIKeyYOSCACXZGFRJQF-UHFFFAOYSA-N
XLogP2.00
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.00
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-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile (CID 62932072) is 1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile is CC1(C)CC(=O)N(C2(C#N)CCCC2)C(=O)C1.
What is the InChIKey of 1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is YOSCACXZGFRJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-12(2)7-10(16)15(11(17)8-12)13(9-14)5-3-4-6-13/h3-8H2,1-2H3.
What are the key properties of 1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile?
1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62932072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).