(Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide

C10H19N3O2 — CID 67887672

IUPAC(Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide
SMILESC/C(N)=C/C(=O)NCCN1CCOCC1
InChIInChI=1S/C10H19N3O2/c1-9(11)8-10(14)12-2-3-13-4-6-15-7-5-13/h8H,2-7,11H2,1H3,(H,12,14)/b9-8-
InChIKeyGZQSMNHWUYOCFD-HJWRWDBZSA-N
MW213.28 g/mol
LogP-0.70
Rot. Bonds4

About (Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide

(Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide (PubChem CID 67887672) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide
PubChem CID67887672
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide
SMILESC/C(N)=C/C(=O)NCCN1CCOCC1
InChIInChI=1S/C10H19N3O2/c1-9(11)8-10(14)12-2-3-13-4-6-15-7-5-13/h8H,2-7,11H2,1H3,(H,12,14)/b9-8-
InChIKeyGZQSMNHWUYOCFD-HJWRWDBZSA-N
XLogP-0.70
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide?
The IUPAC name of (Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide (CID 67887672) is (Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide.
What is the SMILES notation for (Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide?
The canonical SMILES for (Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide is C/C(N)=C/C(=O)NCCN1CCOCC1.
What is the InChIKey of (Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide?
The InChIKey is GZQSMNHWUYOCFD-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-9(11)8-10(14)12-2-3-13-4-6-15-7-5-13/h8H,2-7,11H2,1H3,(H,12,14)/b9-8-.
What are the key properties of (Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide?
(Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide has a molecular weight of 213.28 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide is sourced from PubChem (CID 67887672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).