N'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide

C11H19N3O2 — CID 123474580

IUPACN'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide
SMILESCCCC1CN(C(=O)/C=C/N=C/N)CCO1
InChIInChI=1S/C11H19N3O2/c1-2-3-10-8-14(6-7-16-10)11(15)4-5-13-9-12/h4-5,9-10H,2-3,6-8H2,1H3,(H2,12,13)/b5-4+
InChIKeyAZIOJVVIZUUAAY-SNAWJCMRSA-N
MW225.29 g/mol
LogP0.51
Rot. Bonds4

About N'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide

N'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide (PubChem CID 123474580) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide
PubChem CID123474580
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide
SMILESCCCC1CN(C(=O)/C=C/N=C/N)CCO1
InChIInChI=1S/C11H19N3O2/c1-2-3-10-8-14(6-7-16-10)11(15)4-5-13-9-12/h4-5,9-10H,2-3,6-8H2,1H3,(H2,12,13)/b5-4+
InChIKeyAZIOJVVIZUUAAY-SNAWJCMRSA-N
XLogP0.51
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-Amino-3-ethoxybutyl)pyrimidin-4-one
CID 63769685

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide?
The IUPAC name of N'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide (CID 123474580) is N'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide.
What is the SMILES notation for N'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide?
The canonical SMILES for N'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide is CCCC1CN(C(=O)/C=C/N=C/N)CCO1.
What is the InChIKey of N'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide?
The InChIKey is AZIOJVVIZUUAAY-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-3-10-8-14(6-7-16-10)11(15)4-5-13-9-12/h4-5,9-10H,2-3,6-8H2,1H3,(H2,12,13)/b5-4+.
What are the key properties of N'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide?
N'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide has a molecular weight of 225.29 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide is sourced from PubChem (CID 123474580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).