1-morpholin-4-ylpent-2-ene-1,4-dione

C9H13NO3 — CID 74082867

IUPAC1-morpholin-4-ylpent-2-ene-1,4-dione
SMILESCC(=O)C=CC(=O)N1CCOCC1
InChIInChI=1S/C9H13NO3/c1-8(11)2-3-9(12)10-4-6-13-7-5-10/h2-3H,4-7H2,1H3
InChIKeyRWTVFMGBJLVILJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.01
Rot. Bonds2

About 1-morpholin-4-ylpent-2-ene-1,4-dione

1-morpholin-4-ylpent-2-ene-1,4-dione (PubChem CID 74082867) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-morpholin-4-ylpent-2-ene-1,4-dione.

Molecular Properties

Compound Name1-morpholin-4-ylpent-2-ene-1,4-dione
PubChem CID74082867
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-morpholin-4-ylpent-2-ene-1,4-dione
SMILESCC(=O)C=CC(=O)N1CCOCC1
InChIInChI=1S/C9H13NO3/c1-8(11)2-3-9(12)10-4-6-13-7-5-10/h2-3H,4-7H2,1H3
InChIKeyRWTVFMGBJLVILJ-UHFFFAOYSA-N
XLogP-0.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.01
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 1-morpholin-4-ylpent-2-ene-1,4-dione?
The IUPAC name of 1-morpholin-4-ylpent-2-ene-1,4-dione (CID 74082867) is 1-morpholin-4-ylpent-2-ene-1,4-dione.
What is the SMILES notation for 1-morpholin-4-ylpent-2-ene-1,4-dione?
The canonical SMILES for 1-morpholin-4-ylpent-2-ene-1,4-dione is CC(=O)C=CC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylpent-2-ene-1,4-dione?
The InChIKey is RWTVFMGBJLVILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-8(11)2-3-9(12)10-4-6-13-7-5-10/h2-3H,4-7H2,1H3.
What are the key properties of 1-morpholin-4-ylpent-2-ene-1,4-dione?
1-morpholin-4-ylpent-2-ene-1,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpent-2-ene-1,4-dione is sourced from PubChem (CID 74082867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).