2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile

C14H20N2O2 — CID 62933976

IUPAC2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile
SMILESCC1CC(=O)N(C(C#N)C2CCCCC2)C(=O)C1
InChIInChI=1S/C14H20N2O2/c1-10-7-13(17)16(14(18)8-10)12(9-15)11-5-3-2-4-6-11/h10-12H,2-8H2,1H3
InChIKeyVHMDBKSQGQIWMS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.24
Rot. Bonds2

About 2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile

2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile (PubChem CID 62933976) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile
PubChem CID62933976
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile
SMILESCC1CC(=O)N(C(C#N)C2CCCCC2)C(=O)C1
InChIInChI=1S/C14H20N2O2/c1-10-7-13(17)16(14(18)8-10)12(9-15)11-5-3-2-4-6-11/h10-12H,2-8H2,1H3
InChIKeyVHMDBKSQGQIWMS-UHFFFAOYSA-N
XLogP2.24
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.24
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 2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile?
The IUPAC name of 2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile (CID 62933976) is 2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile is CC1CC(=O)N(C(C#N)C2CCCCC2)C(=O)C1.
What is the InChIKey of 2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile?
The InChIKey is VHMDBKSQGQIWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-7-13(17)16(14(18)8-10)12(9-15)11-5-3-2-4-6-11/h10-12H,2-8H2,1H3.
What are the key properties of 2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile?
2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile has a molecular weight of 248.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile is sourced from PubChem (CID 62933976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).