N-but-3-ynyl-2,2-dimethylpropanamide

C9H15NO — CID 56765707

IUPACN-but-3-ynyl-2,2-dimethylpropanamide
SMILESC#CCCNC(=O)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-5-6-7-10-8(11)9(2,3)4/h1H,6-7H2,2-4H3,(H,10,11)
InChIKeyVZBVXYZXSMZNOX-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.17
Rot. Bonds2

About N-but-3-ynyl-2,2-dimethylpropanamide

N-but-3-ynyl-2,2-dimethylpropanamide (PubChem CID 56765707) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-but-3-ynyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-but-3-ynyl-2,2-dimethylpropanamide
PubChem CID56765707
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-but-3-ynyl-2,2-dimethylpropanamide
SMILESC#CCCNC(=O)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-5-6-7-10-8(11)9(2,3)4/h1H,6-7H2,2-4H3,(H,10,11)
InChIKeyVZBVXYZXSMZNOX-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-2,2-dimethylpropanamide?
The IUPAC name of N-but-3-ynyl-2,2-dimethylpropanamide (CID 56765707) is N-but-3-ynyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-but-3-ynyl-2,2-dimethylpropanamide?
The canonical SMILES for N-but-3-ynyl-2,2-dimethylpropanamide is C#CCCNC(=O)C(C)(C)C.
What is the InChIKey of N-but-3-ynyl-2,2-dimethylpropanamide?
The InChIKey is VZBVXYZXSMZNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-6-7-10-8(11)9(2,3)4/h1H,6-7H2,2-4H3,(H,10,11).
What are the key properties of N-but-3-ynyl-2,2-dimethylpropanamide?
N-but-3-ynyl-2,2-dimethylpropanamide has a molecular weight of 153.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-2,2-dimethylpropanamide is sourced from PubChem (CID 56765707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).