(E)-6-morpholin-4-ylhex-3-en-2-one

C10H17NO2 — CID 153046641

IUPAC(E)-6-morpholin-4-ylhex-3-en-2-one
SMILESCC(=O)/C=C/CCN1CCOCC1
InChIInChI=1S/C10H17NO2/c1-10(12)4-2-3-5-11-6-8-13-9-7-11/h2,4H,3,5-9H2,1H3/b4-2+
InChIKeyVGSRVMDKMTYCNJ-DUXPYHPUSA-N
MW183.25 g/mol
LogP0.85
Rot. Bonds4

About (E)-6-morpholin-4-ylhex-3-en-2-one

(E)-6-morpholin-4-ylhex-3-en-2-one (PubChem CID 153046641) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-6-morpholin-4-ylhex-3-en-2-one.

Molecular Properties

Compound Name(E)-6-morpholin-4-ylhex-3-en-2-one
PubChem CID153046641
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-6-morpholin-4-ylhex-3-en-2-one
SMILESCC(=O)/C=C/CCN1CCOCC1
InChIInChI=1S/C10H17NO2/c1-10(12)4-2-3-5-11-6-8-13-9-7-11/h2,4H,3,5-9H2,1H3/b4-2+
InChIKeyVGSRVMDKMTYCNJ-DUXPYHPUSA-N
XLogP0.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.85
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)-6-morpholin-4-ylhex-3-en-2-one?
The IUPAC name of (E)-6-morpholin-4-ylhex-3-en-2-one (CID 153046641) is (E)-6-morpholin-4-ylhex-3-en-2-one.
What is the SMILES notation for (E)-6-morpholin-4-ylhex-3-en-2-one?
The canonical SMILES for (E)-6-morpholin-4-ylhex-3-en-2-one is CC(=O)/C=C/CCN1CCOCC1.
What is the InChIKey of (E)-6-morpholin-4-ylhex-3-en-2-one?
The InChIKey is VGSRVMDKMTYCNJ-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(12)4-2-3-5-11-6-8-13-9-7-11/h2,4H,3,5-9H2,1H3/b4-2+.
What are the key properties of (E)-6-morpholin-4-ylhex-3-en-2-one?
(E)-6-morpholin-4-ylhex-3-en-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-morpholin-4-ylhex-3-en-2-one is sourced from PubChem (CID 153046641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).