2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile

C11H19N3O — CID 168654942

IUPAC2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile
SMILESC=CCNCC(C#N)CN1CCOCC1
InChIInChI=1S/C11H19N3O/c1-2-3-13-9-11(8-12)10-14-4-6-15-7-5-14/h2,11,13H,1,3-7,9-10H2
InChIKeyZEWPMGPAHLARLZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.23
Rot. Bonds6

About 2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile

2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile (PubChem CID 168654942) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile
PubChem CID168654942
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile
SMILESC=CCNCC(C#N)CN1CCOCC1
InChIInChI=1S/C11H19N3O/c1-2-3-13-9-11(8-12)10-14-4-6-15-7-5-14/h2,11,13H,1,3-7,9-10H2
InChIKeyZEWPMGPAHLARLZ-UHFFFAOYSA-N
XLogP0.23
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile?
The IUPAC name of 2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile (CID 168654942) is 2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile is C=CCNCC(C#N)CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile?
The InChIKey is ZEWPMGPAHLARLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-13-9-11(8-12)10-14-4-6-15-7-5-14/h2,11,13H,1,3-7,9-10H2.
What are the key properties of 2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile?
2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile has a molecular weight of 209.29 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-3-(prop-2-enylamino)propanenitrile is sourced from PubChem (CID 168654942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).