N-hex-5-ynyl-3-methylbut-2-enamide

C11H17NO — CID 103757972

IUPACN-hex-5-ynyl-3-methylbut-2-enamide
SMILESC#CCCCCNC(=O)C=C(C)C
InChIInChI=1S/C11H17NO/c1-4-5-6-7-8-12-11(13)9-10(2)3/h1,9H,5-8H2,2-3H3,(H,12,13)
InChIKeyXPURBLMSYZETLF-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.87
Rot. Bonds5

About N-hex-5-ynyl-3-methylbut-2-enamide

N-hex-5-ynyl-3-methylbut-2-enamide (PubChem CID 103757972) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-hex-5-ynyl-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-hex-5-ynyl-3-methylbut-2-enamide
PubChem CID103757972
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-hex-5-ynyl-3-methylbut-2-enamide
SMILESC#CCCCCNC(=O)C=C(C)C
InChIInChI=1S/C11H17NO/c1-4-5-6-7-8-12-11(13)9-10(2)3/h1,9H,5-8H2,2-3H3,(H,12,13)
InChIKeyXPURBLMSYZETLF-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.87
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-hex-5-ynyl-3-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-N-2-propyn-1-yl-2-butenamide
CID 10773038
(E)-N-butyl-2-methylbut-2-enamide
CID 14316393
(Z)-N-butyl-2-methylbut-2-enamide
CID 133681545
6-methyl-N-prop-2-enyloct-6-en-4-ynamide
CID 135041847
(E)-N-pentylbut-2-enamide
CID 13743671
N-Butyl-3-methylbut-2-enamide
CID 15544418
N-pentylbut-2-enamide
CID 53844363
N-(6-aminohexyl)-2-methylbut-2-enamide
CID 54523506
N-(2-cyclopropylethyl)-3-methylbut-2-enamide
CID 58065344
N-cyclopentyl-3-methylbut-2-enamide
CID 58065354
3-methyl-N-(3-methylbutyl)but-2-enamide
CID 84367819
3-methyl-N-pentylbut-2-enamide
CID 84367903

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-3-methylbut-2-enamide?
The IUPAC name of N-hex-5-ynyl-3-methylbut-2-enamide (CID 103757972) is N-hex-5-ynyl-3-methylbut-2-enamide.
What is the SMILES notation for N-hex-5-ynyl-3-methylbut-2-enamide?
The canonical SMILES for N-hex-5-ynyl-3-methylbut-2-enamide is C#CCCCCNC(=O)C=C(C)C.
What is the InChIKey of N-hex-5-ynyl-3-methylbut-2-enamide?
The InChIKey is XPURBLMSYZETLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-5-6-7-8-12-11(13)9-10(2)3/h1,9H,5-8H2,2-3H3,(H,12,13).
What are the key properties of N-hex-5-ynyl-3-methylbut-2-enamide?
N-hex-5-ynyl-3-methylbut-2-enamide has a molecular weight of 179.26 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-3-methylbut-2-enamide is sourced from PubChem (CID 103757972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).