9-oxo-N-propan-2-ylundec-10-enamide

C14H25NO2 — CID 58298909

IUPAC9-oxo-N-propan-2-ylundec-10-enamide
SMILESC=CC(=O)CCCCCCCC(=O)NC(C)C
InChIInChI=1S/C14H25NO2/c1-4-13(16)10-8-6-5-7-9-11-14(17)15-12(2)3/h4,12H,1,5-11H2,2-3H3,(H,15,17)
InChIKeyOQTGGQRVZRVHQI-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.00
Rot. Bonds10

About 9-oxo-N-propan-2-ylundec-10-enamide

9-oxo-N-propan-2-ylundec-10-enamide (PubChem CID 58298909) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 9-oxo-N-propan-2-ylundec-10-enamide.

Molecular Properties

Compound Name9-oxo-N-propan-2-ylundec-10-enamide
PubChem CID58298909
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name9-oxo-N-propan-2-ylundec-10-enamide
SMILESC=CC(=O)CCCCCCCC(=O)NC(C)C
InChIInChI=1S/C14H25NO2/c1-4-13(16)10-8-6-5-7-9-11-14(17)15-12(2)3/h4,12H,1,5-11H2,2-3H3,(H,15,17)
InChIKeyOQTGGQRVZRVHQI-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
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 9-oxo-N-propan-2-ylundec-10-enamide?
The IUPAC name of 9-oxo-N-propan-2-ylundec-10-enamide (CID 58298909) is 9-oxo-N-propan-2-ylundec-10-enamide.
What is the SMILES notation for 9-oxo-N-propan-2-ylundec-10-enamide?
The canonical SMILES for 9-oxo-N-propan-2-ylundec-10-enamide is C=CC(=O)CCCCCCCC(=O)NC(C)C.
What is the InChIKey of 9-oxo-N-propan-2-ylundec-10-enamide?
The InChIKey is OQTGGQRVZRVHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-13(16)10-8-6-5-7-9-11-14(17)15-12(2)3/h4,12H,1,5-11H2,2-3H3,(H,15,17).
What are the key properties of 9-oxo-N-propan-2-ylundec-10-enamide?
9-oxo-N-propan-2-ylundec-10-enamide has a molecular weight of 239.36 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-propan-2-ylundec-10-enamide is sourced from PubChem (CID 58298909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).