3-morpholin-2-ylpropanenitrile;propanoate

C10H17N2O3- — CID 21111896

IUPAC3-morpholin-2-ylpropanenitrile;propanoate
SMILESCCC(=O)[O-].N#CCCC1CNCCO1
InChIInChI=1S/C7H12N2O.C3H6O2/c8-3-1-2-7-6-9-4-5-10-7;1-2-3(4)5/h7,9H,1-2,4-6H2;2H2,1H3,(H,4,5)/p-1
InChIKeyWYGQITVAWZFRJE-UHFFFAOYSA-M
MW213.26 g/mol
LogP-0.58
Rot. Bonds3

About 3-morpholin-2-ylpropanenitrile;propanoate

3-morpholin-2-ylpropanenitrile;propanoate (PubChem CID 21111896) has the molecular formula C10H17N2O3- and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-morpholin-2-ylpropanenitrile;propanoate.

Molecular Properties

Compound Name3-morpholin-2-ylpropanenitrile;propanoate
PubChem CID21111896
Molecular FormulaC10H17N2O3-
Molecular Weight213.26 g/mol
Exact Mass213.12
IUPAC Name3-morpholin-2-ylpropanenitrile;propanoate
SMILESCCC(=O)[O-].N#CCCC1CNCCO1
InChIInChI=1S/C7H12N2O.C3H6O2/c8-3-1-2-7-6-9-4-5-10-7;1-2-3(4)5/h7,9H,1-2,4-6H2;2H2,1H3,(H,4,5)/p-1
InChIKeyWYGQITVAWZFRJE-UHFFFAOYSA-M
XLogP-0.58
TPSA85.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-morpholin-2-ylethanol;hydrofluoride
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1,3-di(morpholin-2-yl)propan-1-one
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CID 93483053
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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-2-ylpropanenitrile;propanoate?
The IUPAC name of 3-morpholin-2-ylpropanenitrile;propanoate (CID 21111896) is 3-morpholin-2-ylpropanenitrile;propanoate.
What is the SMILES notation for 3-morpholin-2-ylpropanenitrile;propanoate?
The canonical SMILES for 3-morpholin-2-ylpropanenitrile;propanoate is CCC(=O)[O-].N#CCCC1CNCCO1.
What is the InChIKey of 3-morpholin-2-ylpropanenitrile;propanoate?
The InChIKey is WYGQITVAWZFRJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12N2O.C3H6O2/c8-3-1-2-7-6-9-4-5-10-7;1-2-3(4)5/h7,9H,1-2,4-6H2;2H2,1H3,(H,4,5)/p-1.
What are the key properties of 3-morpholin-2-ylpropanenitrile;propanoate?
3-morpholin-2-ylpropanenitrile;propanoate has a molecular weight of 213.26 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-2-ylpropanenitrile;propanoate is sourced from PubChem (CID 21111896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).