N-pentylprop-2-enamide

C8H15NO — CID 18185407

IUPACN-pentylprop-2-enamide
SMILESC=CC(=O)NCCCCC
InChIInChI=1S/C8H15NO/c1-3-5-6-7-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10)
InChIKeyGLVMTPQMPUWELB-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds5

About N-pentylprop-2-enamide

N-pentylprop-2-enamide (PubChem CID 18185407) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-pentylprop-2-enamide.

Molecular Properties

Compound NameN-pentylprop-2-enamide
PubChem CID18185407
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-pentylprop-2-enamide
SMILESC=CC(=O)NCCCCC
InChIInChI=1S/C8H15NO/c1-3-5-6-7-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10)
InChIKeyGLVMTPQMPUWELB-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
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-pentylprop-2-enamide?
The IUPAC name of N-pentylprop-2-enamide (CID 18185407) is N-pentylprop-2-enamide.
What is the SMILES notation for N-pentylprop-2-enamide?
The canonical SMILES for N-pentylprop-2-enamide is C=CC(=O)NCCCCC.
What is the InChIKey of N-pentylprop-2-enamide?
The InChIKey is GLVMTPQMPUWELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-6-7-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10).
What are the key properties of N-pentylprop-2-enamide?
N-pentylprop-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylprop-2-enamide is sourced from PubChem (CID 18185407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).