2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile

C13H21N3O2 — CID 117023155

IUPAC2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile
SMILESCC1(C)C(C#N)CC(=O)N1CCN1CCOCC1
InChIInChI=1S/C13H21N3O2/c1-13(2)11(10-14)9-12(17)16(13)4-3-15-5-7-18-8-6-15/h11H,3-9H2,1-2H3
InChIKeyNGCNXAXNSMPCSS-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.47
Rot. Bonds3

About 2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile

2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile (PubChem CID 117023155) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile
PubChem CID117023155
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile
SMILESCC1(C)C(C#N)CC(=O)N1CCN1CCOCC1
InChIInChI=1S/C13H21N3O2/c1-13(2)11(10-14)9-12(17)16(13)4-3-15-5-7-18-8-6-15/h11H,3-9H2,1-2H3
InChIKeyNGCNXAXNSMPCSS-UHFFFAOYSA-N
XLogP0.47
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile?
The IUPAC name of 2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile (CID 117023155) is 2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for 2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for 2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile is CC1(C)C(C#N)CC(=O)N1CCN1CCOCC1.
What is the InChIKey of 2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile?
The InChIKey is NGCNXAXNSMPCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2)11(10-14)9-12(17)16(13)4-3-15-5-7-18-8-6-15/h11H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile?
2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 117023155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).