1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile

C13H17N3O3 — CID 66073478

IUPAC1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H17N3O3/c1-12(2)10(18)15-9(17)7-16(12)11(19)13(8-14)5-3-4-6-13/h3-7H2,1-2H3,(H,15,17,18)
InChIKeyDVCQWGJEJAZCDB-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.33
Rot. Bonds1

About 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile

1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile (PubChem CID 66073478) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile
PubChem CID66073478
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H17N3O3/c1-12(2)10(18)15-9(17)7-16(12)11(19)13(8-14)5-3-4-6-13/h3-7H2,1-2H3,(H,15,17,18)
InChIKeyDVCQWGJEJAZCDB-UHFFFAOYSA-N
XLogP0.33
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile (CID 66073478) is 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile is CC1(C)C(=O)NC(=O)CN1C(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile?
The InChIKey is DVCQWGJEJAZCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-12(2)10(18)15-9(17)7-16(12)11(19)13(8-14)5-3-4-6-13/h3-7H2,1-2H3,(H,15,17,18).
What are the key properties of 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile?
1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 66073478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).