N-heptylprop-2-enamide

C10H19NO — CID 14529845

IUPACN-heptylprop-2-enamide
SMILESC=CC(=O)NCCCCCCC
InChIInChI=1S/C10H19NO/c1-3-5-6-7-8-9-11-10(12)4-2/h4H,2-3,5-9H2,1H3,(H,11,12)
InChIKeyABUMECXPQVMMIN-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.26
Rot. Bonds7

About N-heptylprop-2-enamide

N-heptylprop-2-enamide (PubChem CID 14529845) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-heptylprop-2-enamide.

Molecular Properties

Compound NameN-heptylprop-2-enamide
PubChem CID14529845
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-heptylprop-2-enamide
SMILESC=CC(=O)NCCCCCCC
InChIInChI=1S/C10H19NO/c1-3-5-6-7-8-9-11-10(12)4-2/h4H,2-3,5-9H2,1H3,(H,11,12)
InChIKeyABUMECXPQVMMIN-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.26
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-heptylprop-2-enamide?
The IUPAC name of N-heptylprop-2-enamide (CID 14529845) is N-heptylprop-2-enamide.
What is the SMILES notation for N-heptylprop-2-enamide?
The canonical SMILES for N-heptylprop-2-enamide is C=CC(=O)NCCCCCCC.
What is the InChIKey of N-heptylprop-2-enamide?
The InChIKey is ABUMECXPQVMMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-6-7-8-9-11-10(12)4-2/h4H,2-3,5-9H2,1H3,(H,11,12).
What are the key properties of N-heptylprop-2-enamide?
N-heptylprop-2-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptylprop-2-enamide is sourced from PubChem (CID 14529845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).