4-(2-oxobutyl)morpholine-2-carbonitrile

C9H14N2O2 — CID 79675265

IUPAC4-(2-oxobutyl)morpholine-2-carbonitrile
SMILESCCC(=O)CN1CCOC(C#N)C1
InChIInChI=1S/C9H14N2O2/c1-2-8(12)6-11-3-4-13-9(5-10)7-11/h9H,2-4,6-7H2,1H3
InChIKeyWFTXLTCFURIFHU-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.19
Rot. Bonds3

About 4-(2-oxobutyl)morpholine-2-carbonitrile

4-(2-oxobutyl)morpholine-2-carbonitrile (PubChem CID 79675265) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(2-oxobutyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-oxobutyl)morpholine-2-carbonitrile
PubChem CID79675265
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(2-oxobutyl)morpholine-2-carbonitrile
SMILESCCC(=O)CN1CCOC(C#N)C1
InChIInChI=1S/C9H14N2O2/c1-2-8(12)6-11-3-4-13-9(5-10)7-11/h9H,2-4,6-7H2,1H3
InChIKeyWFTXLTCFURIFHU-UHFFFAOYSA-N
XLogP0.19
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxobutyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-oxobutyl)morpholine-2-carbonitrile (CID 79675265) is 4-(2-oxobutyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-oxobutyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-oxobutyl)morpholine-2-carbonitrile is CCC(=O)CN1CCOC(C#N)C1.
What is the InChIKey of 4-(2-oxobutyl)morpholine-2-carbonitrile?
The InChIKey is WFTXLTCFURIFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-8(12)6-11-3-4-13-9(5-10)7-11/h9H,2-4,6-7H2,1H3.
What are the key properties of 4-(2-oxobutyl)morpholine-2-carbonitrile?
4-(2-oxobutyl)morpholine-2-carbonitrile has a molecular weight of 182.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxobutyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79675265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).