N,N-dimethylprop-2-ynamide

C5H7NO — CID 11240440

IUPACN,N-dimethylprop-2-ynamide
SMILESC#CC(=O)N(C)C
InChIInChI=1S/C5H7NO/c1-4-5(7)6(2)3/h1H,2-3H3
InChIKeyNYABMBZLFIIBCU-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.29
Rot. Bonds

About N,N-dimethylprop-2-ynamide

N,N-dimethylprop-2-ynamide (PubChem CID 11240440) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is N,N-dimethylprop-2-ynamide.

Molecular Properties

Compound NameN,N-dimethylprop-2-ynamide
PubChem CID11240440
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC NameN,N-dimethylprop-2-ynamide
SMILESC#CC(=O)N(C)C
InChIInChI=1S/C5H7NO/c1-4-5(7)6(2)3/h1H,2-3H3
InChIKeyNYABMBZLFIIBCU-UHFFFAOYSA-N
XLogP-0.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
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,N-dimethylprop-2-ynamide?
The IUPAC name of N,N-dimethylprop-2-ynamide (CID 11240440) is N,N-dimethylprop-2-ynamide.
What is the SMILES notation for N,N-dimethylprop-2-ynamide?
The canonical SMILES for N,N-dimethylprop-2-ynamide is C#CC(=O)N(C)C.
What is the InChIKey of N,N-dimethylprop-2-ynamide?
The InChIKey is NYABMBZLFIIBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-4-5(7)6(2)3/h1H,2-3H3.
What are the key properties of N,N-dimethylprop-2-ynamide?
N,N-dimethylprop-2-ynamide has a molecular weight of 97.12 g/mol, XLogP of -0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-ynamide is sourced from PubChem (CID 11240440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).