N-(2-methylprop-1-enyl)but-2-ynamide

C8H11NO — CID 144677499

IUPACN-(2-methylprop-1-enyl)but-2-ynamide
SMILESCC#CC(=O)NC=C(C)C
InChIInChI=1S/C8H11NO/c1-4-5-8(10)9-6-7(2)3/h6H,1-3H3,(H,9,10)
InChIKeyNEOKLVPGCXSBDZ-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.05
Rot. Bonds1

About N-(2-methylprop-1-enyl)but-2-ynamide

N-(2-methylprop-1-enyl)but-2-ynamide (PubChem CID 144677499) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)but-2-ynamide.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)but-2-ynamide
PubChem CID144677499
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-(2-methylprop-1-enyl)but-2-ynamide
SMILESCC#CC(=O)NC=C(C)C
InChIInChI=1S/C8H11NO/c1-4-5-8(10)9-6-7(2)3/h6H,1-3H3,(H,9,10)
InChIKeyNEOKLVPGCXSBDZ-UHFFFAOYSA-N
XLogP1.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)but-2-ynamide?
The IUPAC name of N-(2-methylprop-1-enyl)but-2-ynamide (CID 144677499) is N-(2-methylprop-1-enyl)but-2-ynamide.
What is the SMILES notation for N-(2-methylprop-1-enyl)but-2-ynamide?
The canonical SMILES for N-(2-methylprop-1-enyl)but-2-ynamide is CC#CC(=O)NC=C(C)C.
What is the InChIKey of N-(2-methylprop-1-enyl)but-2-ynamide?
The InChIKey is NEOKLVPGCXSBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-4-5-8(10)9-6-7(2)3/h6H,1-3H3,(H,9,10).
What are the key properties of N-(2-methylprop-1-enyl)but-2-ynamide?
N-(2-methylprop-1-enyl)but-2-ynamide has a molecular weight of 137.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)but-2-ynamide is sourced from PubChem (CID 144677499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).