N-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide

C14H25NO2 — CID 126538690

IUPACN-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCC(C)CCC(O)C=C
InChIInChI=1S/C14H25NO2/c1-5-13(16)10-9-12(3)8-7-11-15(4)14(17)6-2/h5-6,12-13,16H,1-2,7-11H2,3-4H3
InChIKeyWSJOWUFLHZYACT-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.37
Rot. Bonds9

About N-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide

N-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide (PubChem CID 126538690) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide
PubChem CID126538690
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCC(C)CCC(O)C=C
InChIInChI=1S/C14H25NO2/c1-5-13(16)10-9-12(3)8-7-11-15(4)14(17)6-2/h5-6,12-13,16H,1-2,7-11H2,3-4H3
InChIKeyWSJOWUFLHZYACT-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide?
The IUPAC name of N-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide (CID 126538690) is N-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide?
The canonical SMILES for N-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide is C=CC(=O)N(C)CCCC(C)CCC(O)C=C.
What is the InChIKey of N-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide?
The InChIKey is WSJOWUFLHZYACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-13(16)10-9-12(3)8-7-11-15(4)14(17)6-2/h5-6,12-13,16H,1-2,7-11H2,3-4H3.
What are the key properties of N-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide?
N-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide has a molecular weight of 239.36 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxy-4-methylnon-8-enyl)-N-methylprop-2-enamide is sourced from PubChem (CID 126538690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).