(Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile

C11H15N3O2 — CID 108843747

IUPAC(Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile
SMILESC=CCN/C=C(/C#N)C(=O)N1CCOCC1
InChIInChI=1S/C11H15N3O2/c1-2-3-13-9-10(8-12)11(15)14-4-6-16-7-5-14/h2,9,13H,1,3-7H2/b10-9-
InChIKeyJGNNRIXXDDUUCP-KTKRTIGZSA-N
MW221.26 g/mol
LogP0.03
Rot. Bonds4

About (Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile

(Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile (PubChem CID 108843747) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile
PubChem CID108843747
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile
SMILESC=CCN/C=C(/C#N)C(=O)N1CCOCC1
InChIInChI=1S/C11H15N3O2/c1-2-3-13-9-10(8-12)11(15)14-4-6-16-7-5-14/h2,9,13H,1,3-7H2/b10-9-
InChIKeyJGNNRIXXDDUUCP-KTKRTIGZSA-N
XLogP0.03
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(4-acetylpiperazine-1-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile
CID 108841178
3-[[(Z)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]amino]propanoic acid
CID 108843555
(Z)-2-(morpholine-4-carbonyl)-3-(2-morpholin-4-ylethylamino)prop-2-enenitrile
CID 108843675
(Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile
CID 108843678
(Z)-3-(1-hydroxybutan-2-ylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843746
(Z)-3-[[3-(aminomethyl)phenyl]methylamino]-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843685
(Z)-2-(4-methylpiperidine-1-carbonyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enenitrile
CID 108831824
(Z)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843603
2-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]acetic acid
CID 108862214
(Z)-3-[ethyl(2-hydroxyethyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843734
(Z)-3-(2,5-dichloroanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843576
3-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 4244992

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile?
The IUPAC name of (Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile (CID 108843747) is (Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile is C=CCN/C=C(/C#N)C(=O)N1CCOCC1.
What is the InChIKey of (Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile?
The InChIKey is JGNNRIXXDDUUCP-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-3-13-9-10(8-12)11(15)14-4-6-16-7-5-14/h2,9,13H,1,3-7H2/b10-9-.
What are the key properties of (Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile?
(Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile has a molecular weight of 221.26 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile is sourced from PubChem (CID 108843747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).