(E)-4-morpholin-4-ylhex-3-en-2-one

C10H17NO2 — CID 144558574

IUPAC(E)-4-morpholin-4-ylhex-3-en-2-one
SMILESCC/C(=C\C(C)=O)N1CCOCC1
InChIInChI=1S/C10H17NO2/c1-3-10(8-9(2)12)11-4-6-13-7-5-11/h8H,3-7H2,1-2H3/b10-8+
InChIKeyOBICHHTUVCGGEM-CSKARUKUSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds3

About (E)-4-morpholin-4-ylhex-3-en-2-one

(E)-4-morpholin-4-ylhex-3-en-2-one (PubChem CID 144558574) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-4-morpholin-4-ylhex-3-en-2-one.

Molecular Properties

Compound Name(E)-4-morpholin-4-ylhex-3-en-2-one
PubChem CID144558574
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-4-morpholin-4-ylhex-3-en-2-one
SMILESCC/C(=C\C(C)=O)N1CCOCC1
InChIInChI=1S/C10H17NO2/c1-3-10(8-9(2)12)11-4-6-13-7-5-11/h8H,3-7H2,1-2H3/b10-8+
InChIKeyOBICHHTUVCGGEM-CSKARUKUSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (E)-4-morpholin-4-ylhex-3-en-2-one?
The IUPAC name of (E)-4-morpholin-4-ylhex-3-en-2-one (CID 144558574) is (E)-4-morpholin-4-ylhex-3-en-2-one.
What is the SMILES notation for (E)-4-morpholin-4-ylhex-3-en-2-one?
The canonical SMILES for (E)-4-morpholin-4-ylhex-3-en-2-one is CC/C(=C\C(C)=O)N1CCOCC1.
What is the InChIKey of (E)-4-morpholin-4-ylhex-3-en-2-one?
The InChIKey is OBICHHTUVCGGEM-CSKARUKUSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-10(8-9(2)12)11-4-6-13-7-5-11/h8H,3-7H2,1-2H3/b10-8+.
What are the key properties of (E)-4-morpholin-4-ylhex-3-en-2-one?
(E)-4-morpholin-4-ylhex-3-en-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-morpholin-4-ylhex-3-en-2-one is sourced from PubChem (CID 144558574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).