2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide

C11H17N3O2 — CID 71946765

IUPAC2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide
SMILESCCCNC(=O)C(C#N)=CN1CCOCC1
InChIInChI=1S/C11H17N3O2/c1-2-3-13-11(15)10(8-12)9-14-4-6-16-7-5-14/h9H,2-7H2,1H3,(H,13,15)
InChIKeyAPVVWAFORSXSGI-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.25
Rot. Bonds4

About 2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide

2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide (PubChem CID 71946765) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide
PubChem CID71946765
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide
SMILESCCCNC(=O)C(C#N)=CN1CCOCC1
InChIInChI=1S/C11H17N3O2/c1-2-3-13-11(15)10(8-12)9-14-4-6-16-7-5-14/h9H,2-7H2,1H3,(H,13,15)
InChIKeyAPVVWAFORSXSGI-UHFFFAOYSA-N
XLogP0.25
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide
CID 108836963
methyl 4-[(Z)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]piperazine-1-carboxylate
CID 108820514
(Z)-N-butyl-2-cyano-3-pyrrolidin-1-ylprop-2-enamide
CID 108833701
(Z)-2-cyano-3-morpholin-4-yl-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863767
1-[(Z)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]piperidine-4-carboxamide
CID 108820431
(Z)-2-cyano-3-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862927
(Z)-2-cyano-3-(4-methylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863245
(Z)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylprop-2-enamide
CID 108836217
(Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide
CID 108820360
(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide
CID 108820196
1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108863165
(Z)-3-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyano-N-propylprop-2-enamide
CID 108820512

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide?
The IUPAC name of 2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide (CID 71946765) is 2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide?
The canonical SMILES for 2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide is CCCNC(=O)C(C#N)=CN1CCOCC1.
What is the InChIKey of 2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide?
The InChIKey is APVVWAFORSXSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-3-13-11(15)10(8-12)9-14-4-6-16-7-5-14/h9H,2-7H2,1H3,(H,13,15).
What are the key properties of 2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide?
2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide has a molecular weight of 223.28 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide is sourced from PubChem (CID 71946765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).