N-(2-methylprop-2-enyl)pentanamide

C9H17NO — CID 114618785

IUPACN-(2-methylprop-2-enyl)pentanamide
SMILESC=C(C)CNC(=O)CCCC
InChIInChI=1S/C9H17NO/c1-4-5-6-9(11)10-7-8(2)3/h2,4-7H2,1,3H3,(H,10,11)
InChIKeyMAGDBFGPVQEOLO-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds5

About N-(2-methylprop-2-enyl)pentanamide

N-(2-methylprop-2-enyl)pentanamide (PubChem CID 114618785) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)pentanamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)pentanamide
PubChem CID114618785
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(2-methylprop-2-enyl)pentanamide
SMILESC=C(C)CNC(=O)CCCC
InChIInChI=1S/C9H17NO/c1-4-5-6-9(11)10-7-8(2)3/h2,4-7H2,1,3H3,(H,10,11)
InChIKeyMAGDBFGPVQEOLO-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)pentanamide?
The IUPAC name of N-(2-methylprop-2-enyl)pentanamide (CID 114618785) is N-(2-methylprop-2-enyl)pentanamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)pentanamide?
The canonical SMILES for N-(2-methylprop-2-enyl)pentanamide is C=C(C)CNC(=O)CCCC.
What is the InChIKey of N-(2-methylprop-2-enyl)pentanamide?
The InChIKey is MAGDBFGPVQEOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-6-9(11)10-7-8(2)3/h2,4-7H2,1,3H3,(H,10,11).
What are the key properties of N-(2-methylprop-2-enyl)pentanamide?
N-(2-methylprop-2-enyl)pentanamide 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-(2-methylprop-2-enyl)pentanamide is sourced from PubChem (CID 114618785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).