1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile

C12H16N2O2 — CID 65298575

IUPAC1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile
SMILESCC1(C)CC(=O)N(C2(C#N)CCCC2)C1=O
InChIInChI=1S/C12H16N2O2/c1-11(2)7-9(15)14(10(11)16)12(8-13)5-3-4-6-12/h3-7H2,1-2H3
InChIKeyRINBJXBHKZUFEE-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.61
Rot. Bonds1

About 1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile

1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 65298575) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile
PubChem CID65298575
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile
SMILESCC1(C)CC(=O)N(C2(C#N)CCCC2)C1=O
InChIInChI=1S/C12H16N2O2/c1-11(2)7-9(15)14(10(11)16)12(8-13)5-3-4-6-12/h3-7H2,1-2H3
InChIKeyRINBJXBHKZUFEE-UHFFFAOYSA-N
XLogP1.61
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.61
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-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile (CID 65298575) is 1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile is CC1(C)CC(=O)N(C2(C#N)CCCC2)C1=O.
What is the InChIKey of 1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is RINBJXBHKZUFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-11(2)7-9(15)14(10(11)16)12(8-13)5-3-4-6-12/h3-7H2,1-2H3.
What are the key properties of 1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile?
1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 65298575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).