N-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide

C11H19NO2 — CID 19376149

IUPACN-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCC(C)(C)C=O
InChIInChI=1S/C11H19NO2/c1-9(2)10(14)12-7-5-6-11(3,4)8-13/h8H,1,5-7H2,2-4H3,(H,12,14)
InChIKeyZKSUHQIQPKKVEL-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.68
Rot. Bonds6

About N-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide

N-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide (PubChem CID 19376149) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide
PubChem CID19376149
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCC(C)(C)C=O
InChIInChI=1S/C11H19NO2/c1-9(2)10(14)12-7-5-6-11(3,4)8-13/h8H,1,5-7H2,2-4H3,(H,12,14)
InChIKeyZKSUHQIQPKKVEL-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide?
The IUPAC name of N-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide (CID 19376149) is N-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCCC(C)(C)C=O.
What is the InChIKey of N-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide?
The InChIKey is ZKSUHQIQPKKVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)10(14)12-7-5-6-11(3,4)8-13/h8H,1,5-7H2,2-4H3,(H,12,14).
What are the key properties of N-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide?
N-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide is sourced from PubChem (CID 19376149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).