(Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile

C7H11N3O — CID 11768775

IUPAC(Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile
SMILESN#C/C=C(/N)N1CCOCC1
InChIInChI=1S/C7H11N3O/c8-2-1-7(9)10-3-5-11-6-4-10/h1H,3-6,9H2/b7-1-
InChIKeyNIJBZJPXHOOJAX-XFSBKJJWSA-N
MW153.19 g/mol
LogP-0.36
Rot. Bonds1

About (Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile

(Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile (PubChem CID 11768775) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is (Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile
PubChem CID11768775
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name(Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile
SMILESN#C/C=C(/N)N1CCOCC1
InChIInChI=1S/C7H11N3O/c8-2-1-7(9)10-3-5-11-6-4-10/h1H,3-6,9H2/b7-1-
InChIKeyNIJBZJPXHOOJAX-XFSBKJJWSA-N
XLogP-0.36
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
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
1-Morpholin-4-ylethenamine
CID 89357145
3-Amino-3-morpholinoacrylonitrile
CID 2763631
(E)-3-amino-3-morpholin-4-ylprop-2-enenitrile
CID 5706806
3-Morpholinoacrylonitrile
CID 54263847
(E)-1-morpholin-4-ylprop-1-en-1-amine
CID 89112293
3-[3-(Dimethylamino)morpholin-4-yl]prop-2-enenitrile
CID 149614192
3-(3-Aminomorpholin-4-yl)prop-2-enenitrile
CID 174436553
3-Amino-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile
CID 3630857
(E)-3-amino-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile
CID 5880181
(E)-3-amino-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]prop-2-enenitrile
CID 7021043
(E)-3-amino-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]prop-2-enenitrile
CID 7035320

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile (CID 11768775) is (Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile is N#C/C=C(/N)N1CCOCC1.
What is the InChIKey of (Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile?
The InChIKey is NIJBZJPXHOOJAX-XFSBKJJWSA-N. The full InChI is InChI=1S/C7H11N3O/c8-2-1-7(9)10-3-5-11-6-4-10/h1H,3-6,9H2/b7-1-.
What are the key properties of (Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile?
(Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile has a molecular weight of 153.19 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile is sourced from PubChem (CID 11768775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).