(E)-1-morpholin-4-ylhept-4-ene-1,6-dione

C11H17NO3 — CID 125476306

IUPAC(E)-1-morpholin-4-ylhept-4-ene-1,6-dione
SMILESCC(=O)/C=C/CCC(=O)N1CCOCC1
InChIInChI=1S/C11H17NO3/c1-10(13)4-2-3-5-11(14)12-6-8-15-9-7-12/h2,4H,3,5-9H2,1H3/b4-2+
InChIKeyXCBIEKHFTPSNHY-DUXPYHPUSA-N
MW211.26 g/mol
LogP0.77
Rot. Bonds4

About (E)-1-morpholin-4-ylhept-4-ene-1,6-dione

(E)-1-morpholin-4-ylhept-4-ene-1,6-dione (PubChem CID 125476306) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (E)-1-morpholin-4-ylhept-4-ene-1,6-dione.

Molecular Properties

Compound Name(E)-1-morpholin-4-ylhept-4-ene-1,6-dione
PubChem CID125476306
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(E)-1-morpholin-4-ylhept-4-ene-1,6-dione
SMILESCC(=O)/C=C/CCC(=O)N1CCOCC1
InChIInChI=1S/C11H17NO3/c1-10(13)4-2-3-5-11(14)12-6-8-15-9-7-12/h2,4H,3,5-9H2,1H3/b4-2+
InChIKeyXCBIEKHFTPSNHY-DUXPYHPUSA-N
XLogP0.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.77
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)-1-morpholin-4-ylhept-4-ene-1,6-dione?
The IUPAC name of (E)-1-morpholin-4-ylhept-4-ene-1,6-dione (CID 125476306) is (E)-1-morpholin-4-ylhept-4-ene-1,6-dione.
What is the SMILES notation for (E)-1-morpholin-4-ylhept-4-ene-1,6-dione?
The canonical SMILES for (E)-1-morpholin-4-ylhept-4-ene-1,6-dione is CC(=O)/C=C/CCC(=O)N1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-ylhept-4-ene-1,6-dione?
The InChIKey is XCBIEKHFTPSNHY-DUXPYHPUSA-N. The full InChI is InChI=1S/C11H17NO3/c1-10(13)4-2-3-5-11(14)12-6-8-15-9-7-12/h2,4H,3,5-9H2,1H3/b4-2+.
What are the key properties of (E)-1-morpholin-4-ylhept-4-ene-1,6-dione?
(E)-1-morpholin-4-ylhept-4-ene-1,6-dione has a molecular weight of 211.26 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-ylhept-4-ene-1,6-dione is sourced from PubChem (CID 125476306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).