(E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile

C9H15N3O — CID 22714278

IUPAC(E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile
SMILESCN(C)/C=C(\C#N)N1CCOCC1
InChIInChI=1S/C9H15N3O/c1-11(2)8-9(7-10)12-3-5-13-6-4-12/h8H,3-6H2,1-2H3/b9-8+
InChIKeyYSGYBSBRQMLENC-CMDGGOBGSA-N
MW181.24 g/mol
LogP0.25
Rot. Bonds2

About (E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile

(E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile (PubChem CID 22714278) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile
PubChem CID22714278
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile
SMILESCN(C)/C=C(\C#N)N1CCOCC1
InChIInChI=1S/C9H15N3O/c1-11(2)8-9(7-10)12-3-5-13-6-4-12/h8H,3-6H2,1-2H3/b9-8+
InChIKeyYSGYBSBRQMLENC-CMDGGOBGSA-N
XLogP0.25
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Morpholineacrylonitrile, (E)-
CID 13139284
2-Morpholin-4-yl-acrylnitrile
CID 556674
2-(4-Morpholinylmethylene)malononitrile
CID 244874
(E)-3-morpholin-4-ylbut-2-enenitrile
CID 2322435
2-Morpholin-4-ylpent-2-enenitrile
CID 140785257
(E)-3-morpholin-4-ylhex-2-en-4-ynenitrile
CID 168330122
(Z)-3-morpholin-4-ylbut-2-enenitrile
CID 2322436
3-Morpholin-4-ylbut-2-enenitrile
CID 4049791
2-[1-(4-Morpholinyl)ethylidene]malononitrile
CID 14025521
3-Morpholinoacrylonitrile
CID 54263847
3-(Dimethylamino)-2-morpholin-4-ylprop-2-enenitrile
CID 54524652
(Z)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile
CID 69906710

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile?
The IUPAC name of (E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile (CID 22714278) is (E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile.
What is the SMILES notation for (E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile?
The canonical SMILES for (E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile is CN(C)/C=C(\C#N)N1CCOCC1.
What is the InChIKey of (E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile?
The InChIKey is YSGYBSBRQMLENC-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H15N3O/c1-11(2)8-9(7-10)12-3-5-13-6-4-12/h8H,3-6H2,1-2H3/b9-8+.
What are the key properties of (E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile?
(E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile has a molecular weight of 181.24 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile is sourced from PubChem (CID 22714278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).