2-methyl-1-morpholin-4-ylpent-4-en-1-one

C10H17NO2 — CID 22628680

IUPAC2-methyl-1-morpholin-4-ylpent-4-en-1-one
SMILESC=CCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO2/c1-3-4-9(2)10(12)11-5-7-13-8-6-11/h3,9H,1,4-8H2,2H3
InChIKeyKCEYPWIZLUKYKS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.06
Rot. Bonds3

About 2-methyl-1-morpholin-4-ylpent-4-en-1-one

2-methyl-1-morpholin-4-ylpent-4-en-1-one (PubChem CID 22628680) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-1-morpholin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name2-methyl-1-morpholin-4-ylpent-4-en-1-one
PubChem CID22628680
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methyl-1-morpholin-4-ylpent-4-en-1-one
SMILESC=CCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO2/c1-3-4-9(2)10(12)11-5-7-13-8-6-11/h3,9H,1,4-8H2,2H3
InChIKeyKCEYPWIZLUKYKS-UHFFFAOYSA-N
XLogP1.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-morpholin-4-ylpent-4-en-1-one?
The IUPAC name of 2-methyl-1-morpholin-4-ylpent-4-en-1-one (CID 22628680) is 2-methyl-1-morpholin-4-ylpent-4-en-1-one.
What is the SMILES notation for 2-methyl-1-morpholin-4-ylpent-4-en-1-one?
The canonical SMILES for 2-methyl-1-morpholin-4-ylpent-4-en-1-one is C=CCC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-1-morpholin-4-ylpent-4-en-1-one?
The InChIKey is KCEYPWIZLUKYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-9(2)10(12)11-5-7-13-8-6-11/h3,9H,1,4-8H2,2H3.
What are the key properties of 2-methyl-1-morpholin-4-ylpent-4-en-1-one?
2-methyl-1-morpholin-4-ylpent-4-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-morpholin-4-ylpent-4-en-1-one is sourced from PubChem (CID 22628680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).