N-(8-methylnonyl)prop-2-enamide

C13H25NO — CID 18469644

IUPACN-(8-methylnonyl)prop-2-enamide
SMILESC=CC(=O)NCCCCCCCC(C)C
InChIInChI=1S/C13H25NO/c1-4-13(15)14-11-9-7-5-6-8-10-12(2)3/h4,12H,1,5-11H2,2-3H3,(H,14,15)
InChIKeyDOOHFXPLIIRPLB-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.29
Rot. Bonds9

About N-(8-methylnonyl)prop-2-enamide

N-(8-methylnonyl)prop-2-enamide (PubChem CID 18469644) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(8-methylnonyl)prop-2-enamide.

Molecular Properties

Compound NameN-(8-methylnonyl)prop-2-enamide
PubChem CID18469644
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(8-methylnonyl)prop-2-enamide
SMILESC=CC(=O)NCCCCCCCC(C)C
InChIInChI=1S/C13H25NO/c1-4-13(15)14-11-9-7-5-6-8-10-12(2)3/h4,12H,1,5-11H2,2-3H3,(H,14,15)
InChIKeyDOOHFXPLIIRPLB-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.29
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-(8-methylnonyl)prop-2-enamide?
The IUPAC name of N-(8-methylnonyl)prop-2-enamide (CID 18469644) is N-(8-methylnonyl)prop-2-enamide.
What is the SMILES notation for N-(8-methylnonyl)prop-2-enamide?
The canonical SMILES for N-(8-methylnonyl)prop-2-enamide is C=CC(=O)NCCCCCCCC(C)C.
What is the InChIKey of N-(8-methylnonyl)prop-2-enamide?
The InChIKey is DOOHFXPLIIRPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-13(15)14-11-9-7-5-6-8-10-12(2)3/h4,12H,1,5-11H2,2-3H3,(H,14,15).
What are the key properties of N-(8-methylnonyl)prop-2-enamide?
N-(8-methylnonyl)prop-2-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methylnonyl)prop-2-enamide is sourced from PubChem (CID 18469644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).