2-methylidene-1-morpholin-4-ylbut-3-en-1-one

C9H13NO2 — CID 10511287

IUPAC2-methylidene-1-morpholin-4-ylbut-3-en-1-one
SMILESC=CC(=C)C(=O)N1CCOCC1
InChIInChI=1S/C9H13NO2/c1-3-8(2)9(11)10-4-6-12-7-5-10/h3H,1-2,4-7H2
InChIKeyJCNVEKAYSAYVKD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.59
Rot. Bonds2

About 2-methylidene-1-morpholin-4-ylbut-3-en-1-one

2-methylidene-1-morpholin-4-ylbut-3-en-1-one (PubChem CID 10511287) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methylidene-1-morpholin-4-ylbut-3-en-1-one.

Molecular Properties

Compound Name2-methylidene-1-morpholin-4-ylbut-3-en-1-one
PubChem CID10511287
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-methylidene-1-morpholin-4-ylbut-3-en-1-one
SMILESC=CC(=C)C(=O)N1CCOCC1
InChIInChI=1S/C9H13NO2/c1-3-8(2)9(11)10-4-6-12-7-5-10/h3H,1-2,4-7H2
InChIKeyJCNVEKAYSAYVKD-UHFFFAOYSA-N
XLogP0.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-morpholin-4-ylbut-3-en-1-one?
The IUPAC name of 2-methylidene-1-morpholin-4-ylbut-3-en-1-one (CID 10511287) is 2-methylidene-1-morpholin-4-ylbut-3-en-1-one.
What is the SMILES notation for 2-methylidene-1-morpholin-4-ylbut-3-en-1-one?
The canonical SMILES for 2-methylidene-1-morpholin-4-ylbut-3-en-1-one is C=CC(=C)C(=O)N1CCOCC1.
What is the InChIKey of 2-methylidene-1-morpholin-4-ylbut-3-en-1-one?
The InChIKey is JCNVEKAYSAYVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-8(2)9(11)10-4-6-12-7-5-10/h3H,1-2,4-7H2.
What are the key properties of 2-methylidene-1-morpholin-4-ylbut-3-en-1-one?
2-methylidene-1-morpholin-4-ylbut-3-en-1-one has a molecular weight of 167.21 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-morpholin-4-ylbut-3-en-1-one is sourced from PubChem (CID 10511287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).