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

C12H16N2O2 — CID 55210065

IUPAC1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESCC1CC(=O)N(C2(C#N)CCCC2)C(=O)C1
InChIInChI=1S/C12H16N2O2/c1-9-6-10(15)14(11(16)7-9)12(8-13)4-2-3-5-12/h9H,2-7H2,1H3
InChIKeyNRKYWHCJTSLUPP-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.61
Rot. Bonds1

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

1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 55210065) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile
PubChem CID55210065
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESCC1CC(=O)N(C2(C#N)CCCC2)C(=O)C1
InChIInChI=1S/C12H16N2O2/c1-9-6-10(15)14(11(16)7-9)12(8-13)4-2-3-5-12/h9H,2-7H2,1H3
InChIKeyNRKYWHCJTSLUPP-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-(4-methyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile (CID 55210065) is 1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile is CC1CC(=O)N(C2(C#N)CCCC2)C(=O)C1.
What is the InChIKey of 1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is NRKYWHCJTSLUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-6-10(15)14(11(16)7-9)12(8-13)4-2-3-5-12/h9H,2-7H2,1H3.
What are the key properties of 1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile?
1-(4-methyl-2,6-dioxopiperidin-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-(4-methyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 55210065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).