(Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione

C9H13NO4 — CID 71474277

IUPAC(Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione
SMILESCC(=O)/C=C(\O)C(=O)N1CCOCC1
InChIInChI=1S/C9H13NO4/c1-7(11)6-8(12)9(13)10-2-4-14-5-3-10/h6,12H,2-5H2,1H3/b8-6-
InChIKeyOKMCIEWMAXVJQE-VURMDHGXSA-N
MW199.21 g/mol
LogP-0.12
Rot. Bonds2

About (Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione

(Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione (PubChem CID 71474277) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is (Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione.

Molecular Properties

Compound Name(Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione
PubChem CID71474277
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name(Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione
SMILESCC(=O)/C=C(\O)C(=O)N1CCOCC1
InChIInChI=1S/C9H13NO4/c1-7(11)6-8(12)9(13)10-2-4-14-5-3-10/h6,12H,2-5H2,1H3/b8-6-
InChIKeyOKMCIEWMAXVJQE-VURMDHGXSA-N
XLogP-0.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione?
The IUPAC name of (Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione (CID 71474277) is (Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione.
What is the SMILES notation for (Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione?
The canonical SMILES for (Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione is CC(=O)/C=C(\O)C(=O)N1CCOCC1.
What is the InChIKey of (Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione?
The InChIKey is OKMCIEWMAXVJQE-VURMDHGXSA-N. The full InChI is InChI=1S/C9H13NO4/c1-7(11)6-8(12)9(13)10-2-4-14-5-3-10/h6,12H,2-5H2,1H3/b8-6-.
What are the key properties of (Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione?
(Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione has a molecular weight of 199.21 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione is sourced from PubChem (CID 71474277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).