N-heptan-4-ylhex-2-enamide

C13H25NO — CID 76556539

IUPACN-heptan-4-ylhex-2-enamide
SMILESCCCC=CC(=O)NC(CCC)CCC
InChIInChI=1S/C13H25NO/c1-4-7-8-11-13(15)14-12(9-5-2)10-6-3/h8,11-12H,4-7,9-10H2,1-3H3,(H,14,15)
InChIKeyLTBOHMCYDZVLKI-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.43
Rot. Bonds8

About N-heptan-4-ylhex-2-enamide

N-heptan-4-ylhex-2-enamide (PubChem CID 76556539) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-heptan-4-ylhex-2-enamide.

Molecular Properties

Compound NameN-heptan-4-ylhex-2-enamide
PubChem CID76556539
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-heptan-4-ylhex-2-enamide
SMILESCCCC=CC(=O)NC(CCC)CCC
InChIInChI=1S/C13H25NO/c1-4-7-8-11-13(15)14-12(9-5-2)10-6-3/h8,11-12H,4-7,9-10H2,1-3H3,(H,14,15)
InChIKeyLTBOHMCYDZVLKI-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.43
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-heptan-4-ylhex-2-enamide?
The IUPAC name of N-heptan-4-ylhex-2-enamide (CID 76556539) is N-heptan-4-ylhex-2-enamide.
What is the SMILES notation for N-heptan-4-ylhex-2-enamide?
The canonical SMILES for N-heptan-4-ylhex-2-enamide is CCCC=CC(=O)NC(CCC)CCC.
What is the InChIKey of N-heptan-4-ylhex-2-enamide?
The InChIKey is LTBOHMCYDZVLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-7-8-11-13(15)14-12(9-5-2)10-6-3/h8,11-12H,4-7,9-10H2,1-3H3,(H,14,15).
What are the key properties of N-heptan-4-ylhex-2-enamide?
N-heptan-4-ylhex-2-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-ylhex-2-enamide is sourced from PubChem (CID 76556539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).