3-methyl-N-pent-1-yn-3-ylbut-2-enamide

C10H15NO — CID 103578889

IUPAC3-methyl-N-pent-1-yn-3-ylbut-2-enamide
SMILESC#CC(CC)NC(=O)C=C(C)C
InChIInChI=1S/C10H15NO/c1-5-9(6-2)11-10(12)7-8(3)4/h1,7,9H,6H2,2-4H3,(H,11,12)
InChIKeyFYHCVXQAAUGEJV-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.48
Rot. Bonds3

About 3-methyl-N-pent-1-yn-3-ylbut-2-enamide

3-methyl-N-pent-1-yn-3-ylbut-2-enamide (PubChem CID 103578889) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-methyl-N-pent-1-yn-3-ylbut-2-enamide.

Molecular Properties

Compound Name3-methyl-N-pent-1-yn-3-ylbut-2-enamide
PubChem CID103578889
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-methyl-N-pent-1-yn-3-ylbut-2-enamide
SMILESC#CC(CC)NC(=O)C=C(C)C
InChIInChI=1S/C10H15NO/c1-5-9(6-2)11-10(12)7-8(3)4/h1,7,9H,6H2,2-4H3,(H,11,12)
InChIKeyFYHCVXQAAUGEJV-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-N-2-propyn-1-yl-2-butenamide
CID 10773038
(E)-4,4,4-trifluoro-3-methyl-N-prop-2-ynylbut-2-enamide
CID 89976181
4,4,4-trifluoro-3-methyl-N-prop-2-ynylbut-2-enamide
CID 123979615
N-(1-fluoropropan-2-yl)-3-methylbut-2-enamide
CID 130875014
N-(3,3-difluorobutan-2-yl)-3-methylbut-2-enamide
CID 130892725
(Z)-N-(1-fluoropropan-2-yl)-2-methylbut-2-enamide
CID 133618351
But-2-enoic acid, amide, 3-methyl-N-methallyl-
CID 12352786
(E)-2-methyl-N-propan-2-ylbut-2-enamide
CID 15154115
3-methyl-N-propan-2-ylbut-2-enamide
CID 19177647
3-methyl-N-propylbut-2-enamide
CID 55207941
N-cyclobutyl-3-methylbut-2-enamide
CID 58065320
N-cyclopropyl-3-methylbut-2-enamide
CID 58065324

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pent-1-yn-3-ylbut-2-enamide?
The IUPAC name of 3-methyl-N-pent-1-yn-3-ylbut-2-enamide (CID 103578889) is 3-methyl-N-pent-1-yn-3-ylbut-2-enamide.
What is the SMILES notation for 3-methyl-N-pent-1-yn-3-ylbut-2-enamide?
The canonical SMILES for 3-methyl-N-pent-1-yn-3-ylbut-2-enamide is C#CC(CC)NC(=O)C=C(C)C.
What is the InChIKey of 3-methyl-N-pent-1-yn-3-ylbut-2-enamide?
The InChIKey is FYHCVXQAAUGEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-9(6-2)11-10(12)7-8(3)4/h1,7,9H,6H2,2-4H3,(H,11,12).
What are the key properties of 3-methyl-N-pent-1-yn-3-ylbut-2-enamide?
3-methyl-N-pent-1-yn-3-ylbut-2-enamide has a molecular weight of 165.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pent-1-yn-3-ylbut-2-enamide is sourced from PubChem (CID 103578889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).