N-hexan-2-ylprop-2-enamide

C9H17NO — CID 20510138

IUPACN-hexan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)CCCC
InChIInChI=1S/C9H17NO/c1-4-6-7-8(3)10-9(11)5-2/h5,8H,2,4,6-7H2,1,3H3,(H,10,11)
InChIKeyJXRGQGSCLOUNTL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds5

About N-hexan-2-ylprop-2-enamide

N-hexan-2-ylprop-2-enamide (PubChem CID 20510138) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-hexan-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-hexan-2-ylprop-2-enamide
PubChem CID20510138
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-hexan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)CCCC
InChIInChI=1S/C9H17NO/c1-4-6-7-8(3)10-9(11)5-2/h5,8H,2,4,6-7H2,1,3H3,(H,10,11)
InChIKeyJXRGQGSCLOUNTL-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexan-2-ylprop-2-enamide?
The IUPAC name of N-hexan-2-ylprop-2-enamide (CID 20510138) is N-hexan-2-ylprop-2-enamide.
What is the SMILES notation for N-hexan-2-ylprop-2-enamide?
The canonical SMILES for N-hexan-2-ylprop-2-enamide is C=CC(=O)NC(C)CCCC.
What is the InChIKey of N-hexan-2-ylprop-2-enamide?
The InChIKey is JXRGQGSCLOUNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-7-8(3)10-9(11)5-2/h5,8H,2,4,6-7H2,1,3H3,(H,10,11).
What are the key properties of N-hexan-2-ylprop-2-enamide?
N-hexan-2-ylprop-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-ylprop-2-enamide is sourced from PubChem (CID 20510138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).