1-morpholin-4-ylundec-2-en-1-one

C15H27NO2 — CID 54196588

IUPAC1-morpholin-4-ylundec-2-en-1-one
SMILESCCCCCCCCC=CC(=O)N1CCOCC1
InChIInChI=1S/C15H27NO2/c1-2-3-4-5-6-7-8-9-10-15(17)16-11-13-18-14-12-16/h9-10H,2-8,11-14H2,1H3
InChIKeyPMFWZIJRPKOHRW-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.15
Rot. Bonds8

About 1-morpholin-4-ylundec-2-en-1-one

1-morpholin-4-ylundec-2-en-1-one (PubChem CID 54196588) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-morpholin-4-ylundec-2-en-1-one.

Molecular Properties

Compound Name1-morpholin-4-ylundec-2-en-1-one
PubChem CID54196588
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-morpholin-4-ylundec-2-en-1-one
SMILESCCCCCCCCC=CC(=O)N1CCOCC1
InChIInChI=1S/C15H27NO2/c1-2-3-4-5-6-7-8-9-10-15(17)16-11-13-18-14-12-16/h9-10H,2-8,11-14H2,1H3
InChIKeyPMFWZIJRPKOHRW-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylundec-2-en-1-one?
The IUPAC name of 1-morpholin-4-ylundec-2-en-1-one (CID 54196588) is 1-morpholin-4-ylundec-2-en-1-one.
What is the SMILES notation for 1-morpholin-4-ylundec-2-en-1-one?
The canonical SMILES for 1-morpholin-4-ylundec-2-en-1-one is CCCCCCCCC=CC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylundec-2-en-1-one?
The InChIKey is PMFWZIJRPKOHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-3-4-5-6-7-8-9-10-15(17)16-11-13-18-14-12-16/h9-10H,2-8,11-14H2,1H3.
What are the key properties of 1-morpholin-4-ylundec-2-en-1-one?
1-morpholin-4-ylundec-2-en-1-one has a molecular weight of 253.39 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylundec-2-en-1-one is sourced from PubChem (CID 54196588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).