N-hexylprop-2-ynamide

C9H15NO — CID 15389945

IUPACN-hexylprop-2-ynamide
SMILESC#CC(=O)NCCCCCC
InChIInChI=1S/C9H15NO/c1-3-5-6-7-8-10-9(11)4-2/h2H,3,5-8H2,1H3,(H,10,11)
InChIKeyNPNFROVVIRURJV-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.32
Rot. Bonds5

About N-hexylprop-2-ynamide

N-hexylprop-2-ynamide (PubChem CID 15389945) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-hexylprop-2-ynamide.

Molecular Properties

Compound NameN-hexylprop-2-ynamide
PubChem CID15389945
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-hexylprop-2-ynamide
SMILESC#CC(=O)NCCCCCC
InChIInChI=1S/C9H15NO/c1-3-5-6-7-8-10-9(11)4-2/h2H,3,5-8H2,1H3,(H,10,11)
InChIKeyNPNFROVVIRURJV-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexylprop-2-ynamide?
The IUPAC name of N-hexylprop-2-ynamide (CID 15389945) is N-hexylprop-2-ynamide.
What is the SMILES notation for N-hexylprop-2-ynamide?
The canonical SMILES for N-hexylprop-2-ynamide is C#CC(=O)NCCCCCC.
What is the InChIKey of N-hexylprop-2-ynamide?
The InChIKey is NPNFROVVIRURJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-6-7-8-10-9(11)4-2/h2H,3,5-8H2,1H3,(H,10,11).
What are the key properties of N-hexylprop-2-ynamide?
N-hexylprop-2-ynamide has a molecular weight of 153.22 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylprop-2-ynamide is sourced from PubChem (CID 15389945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).