4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile

C11H19N3O2 — CID 117009025

IUPAC4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile
SMILESN#CC1COCCN1CCN1CCOCC1
InChIInChI=1S/C11H19N3O2/c12-9-11-10-16-8-5-14(11)2-1-13-3-6-15-7-4-13/h11H,1-8,10H2
InChIKeyZUNMCHQQGMWQHD-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.46
Rot. Bonds3

About 4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile

4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile (PubChem CID 117009025) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile
PubChem CID117009025
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile
SMILESN#CC1COCCN1CCN1CCOCC1
InChIInChI=1S/C11H19N3O2/c12-9-11-10-16-8-5-14(11)2-1-13-3-6-15-7-4-13/h11H,1-8,10H2
InChIKeyZUNMCHQQGMWQHD-UHFFFAOYSA-N
XLogP-0.46
TPSA48.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile?
The IUPAC name of 4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile (CID 117009025) is 4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile.
What is the SMILES notation for 4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile?
The canonical SMILES for 4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile is N#CC1COCCN1CCN1CCOCC1.
What is the InChIKey of 4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile?
The InChIKey is ZUNMCHQQGMWQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c12-9-11-10-16-8-5-14(11)2-1-13-3-6-15-7-4-13/h11H,1-8,10H2.
What are the key properties of 4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile?
4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile has a molecular weight of 225.29 g/mol, XLogP of -0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile is sourced from PubChem (CID 117009025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).