N-hexylprop-2-enamide

C9H17NO — CID 18172794

IUPACN-hexylprop-2-enamide
SMILESC=CC(=O)NCCCCCC
InChIInChI=1S/C9H17NO/c1-3-5-6-7-8-10-9(11)4-2/h4H,2-3,5-8H2,1H3,(H,10,11)
InChIKeyGCGQYJSQINRKQL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds6

About N-hexylprop-2-enamide

N-hexylprop-2-enamide (PubChem CID 18172794) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-hexylprop-2-enamide.

Molecular Properties

Compound NameN-hexylprop-2-enamide
PubChem CID18172794
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-hexylprop-2-enamide
SMILESC=CC(=O)NCCCCCC
InChIInChI=1S/C9H17NO/c1-3-5-6-7-8-10-9(11)4-2/h4H,2-3,5-8H2,1H3,(H,10,11)
InChIKeyGCGQYJSQINRKQL-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-hexylprop-2-enamide?
The IUPAC name of N-hexylprop-2-enamide (CID 18172794) is N-hexylprop-2-enamide.
What is the SMILES notation for N-hexylprop-2-enamide?
The canonical SMILES for N-hexylprop-2-enamide is C=CC(=O)NCCCCCC.
What is the InChIKey of N-hexylprop-2-enamide?
The InChIKey is GCGQYJSQINRKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-6-7-8-10-9(11)4-2/h4H,2-3,5-8H2,1H3,(H,10,11).
What are the key properties of N-hexylprop-2-enamide?
N-hexylprop-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylprop-2-enamide is sourced from PubChem (CID 18172794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).