N-nonylprop-2-enamide

C12H23NO — CID 22709185

IUPACN-nonylprop-2-enamide
SMILESC=CC(=O)NCCCCCCCCC
InChIInChI=1S/C12H23NO/c1-3-5-6-7-8-9-10-11-13-12(14)4-2/h4H,2-3,5-11H2,1H3,(H,13,14)
InChIKeyVDHDIPGCUFYGIL-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.04
Rot. Bonds9

About N-nonylprop-2-enamide

N-nonylprop-2-enamide (PubChem CID 22709185) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-nonylprop-2-enamide.

Molecular Properties

Compound NameN-nonylprop-2-enamide
PubChem CID22709185
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-nonylprop-2-enamide
SMILESC=CC(=O)NCCCCCCCCC
InChIInChI=1S/C12H23NO/c1-3-5-6-7-8-9-10-11-13-12(14)4-2/h4H,2-3,5-11H2,1H3,(H,13,14)
InChIKeyVDHDIPGCUFYGIL-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.04
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-nonylprop-2-enamide?
The IUPAC name of N-nonylprop-2-enamide (CID 22709185) is N-nonylprop-2-enamide.
What is the SMILES notation for N-nonylprop-2-enamide?
The canonical SMILES for N-nonylprop-2-enamide is C=CC(=O)NCCCCCCCCC.
What is the InChIKey of N-nonylprop-2-enamide?
The InChIKey is VDHDIPGCUFYGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-5-6-7-8-9-10-11-13-12(14)4-2/h4H,2-3,5-11H2,1H3,(H,13,14).
What are the key properties of N-nonylprop-2-enamide?
N-nonylprop-2-enamide has a molecular weight of 197.32 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonylprop-2-enamide is sourced from PubChem (CID 22709185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).