2-propylmorpholine-4-carbonitrile

C8H14N2O — CID 175059333

IUPAC2-propylmorpholine-4-carbonitrile
SMILESCCCC1CN(C#N)CCO1
InChIInChI=1S/C8H14N2O/c1-2-3-8-6-10(7-9)4-5-11-8/h8H,2-6H2,1H3
InChIKeyGWNLAJDQDUNUQF-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.97
Rot. Bonds2

About 2-propylmorpholine-4-carbonitrile

2-propylmorpholine-4-carbonitrile (PubChem CID 175059333) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-propylmorpholine-4-carbonitrile.

Molecular Properties

Compound Name2-propylmorpholine-4-carbonitrile
PubChem CID175059333
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-propylmorpholine-4-carbonitrile
SMILESCCCC1CN(C#N)CCO1
InChIInChI=1S/C8H14N2O/c1-2-3-8-6-10(7-9)4-5-11-8/h8H,2-6H2,1H3
InChIKeyGWNLAJDQDUNUQF-UHFFFAOYSA-N
XLogP0.97
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 2-propylmorpholine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Dimethylmorpholine-4-carbonitrile
CID 10240890
1-(2-Methoxypropyl)piperidine
CID 23189147
3-Methoxy-1-propylpiperidine
CID 58528672
3-Ethoxy-1-ethylpiperidine
CID 68275325
Trimethyl-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl]azanium
CID 3048561
4-Morpholinecarbonitrile,2-methyl-(9CI)
CID 11819091
1-Ethyl-3-(1-ethylpiperidin-3-yl)oxypiperidine
CID 12716241
1-Ethyl-3-methoxypiperidine
CID 12716245
(3R)-1-ethyl-3-methoxypiperidine
CID 12716246
3-Methoxy-1-methylpiperidine
CID 13035413
2-(2,6-Dimethylmorpholin-4-yl)acetonitrile
CID 16227891
2-(2-piperidin-1-ylethoxy)-N,N-dipropylpropan-1-amine
CID 19822691

Frequently Asked Questions

What is the IUPAC name of 2-propylmorpholine-4-carbonitrile?
The IUPAC name of 2-propylmorpholine-4-carbonitrile (CID 175059333) is 2-propylmorpholine-4-carbonitrile.
What is the SMILES notation for 2-propylmorpholine-4-carbonitrile?
The canonical SMILES for 2-propylmorpholine-4-carbonitrile is CCCC1CN(C#N)CCO1.
What is the InChIKey of 2-propylmorpholine-4-carbonitrile?
The InChIKey is GWNLAJDQDUNUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-8-6-10(7-9)4-5-11-8/h8H,2-6H2,1H3.
What are the key properties of 2-propylmorpholine-4-carbonitrile?
2-propylmorpholine-4-carbonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylmorpholine-4-carbonitrile is sourced from PubChem (CID 175059333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).