6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one

C11H19N3O2 — CID 139516256

IUPAC6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one
SMILESCCC1/C(=N/C=C\N)OCC(=O)N1C(C)C
InChIInChI=1S/C11H19N3O2/c1-4-9-11(13-6-5-12)16-7-10(15)14(9)8(2)3/h5-6,8-9H,4,7,12H2,1-3H3/b6-5-,13-11-
InChIKeyRWWHGLVIYZJPLY-VNWVSWPHSA-N
MW225.29 g/mol
LogP0.86
Rot. Bonds3

About 6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one

6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one (PubChem CID 139516256) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one.

Molecular Properties

Compound Name6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one
PubChem CID139516256
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one
SMILESCCC1/C(=N/C=C\N)OCC(=O)N1C(C)C
InChIInChI=1S/C11H19N3O2/c1-4-9-11(13-6-5-12)16-7-10(15)14(9)8(2)3/h5-6,8-9H,4,7,12H2,1-3H3/b6-5-,13-11-
InChIKeyRWWHGLVIYZJPLY-VNWVSWPHSA-N
XLogP0.86
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one?
The IUPAC name of 6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one (CID 139516256) is 6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one.
What is the SMILES notation for 6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one?
The canonical SMILES for 6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one is CCC1/C(=N/C=C\N)OCC(=O)N1C(C)C.
What is the InChIKey of 6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one?
The InChIKey is RWWHGLVIYZJPLY-VNWVSWPHSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-9-11(13-6-5-12)16-7-10(15)14(9)8(2)3/h5-6,8-9H,4,7,12H2,1-3H3/b6-5-,13-11-.
What are the key properties of 6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one?
6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one is sourced from PubChem (CID 139516256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).