N-acetyl-N-prop-2-ynylacetamide

C7H9NO2 — CID 14025452

IUPACN-acetyl-N-prop-2-ynylacetamide
SMILESC#CCN(C(C)=O)C(C)=O
InChIInChI=1S/C7H9NO2/c1-4-5-8(6(2)9)7(3)10/h1H,5H2,2-3H3
InChIKeyYXINTNZBEGOUPJ-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.01
Rot. Bonds1

About N-acetyl-N-prop-2-ynylacetamide

N-acetyl-N-prop-2-ynylacetamide (PubChem CID 14025452) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is N-acetyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound NameN-acetyl-N-prop-2-ynylacetamide
PubChem CID14025452
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC NameN-acetyl-N-prop-2-ynylacetamide
SMILESC#CCN(C(C)=O)C(C)=O
InChIInChI=1S/C7H9NO2/c1-4-5-8(6(2)9)7(3)10/h1H,5H2,2-3H3
InChIKeyYXINTNZBEGOUPJ-UHFFFAOYSA-N
XLogP0.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-acetyl-N-prop-2-ynylacetamide?
The IUPAC name of N-acetyl-N-prop-2-ynylacetamide (CID 14025452) is N-acetyl-N-prop-2-ynylacetamide.
What is the SMILES notation for N-acetyl-N-prop-2-ynylacetamide?
The canonical SMILES for N-acetyl-N-prop-2-ynylacetamide is C#CCN(C(C)=O)C(C)=O.
What is the InChIKey of N-acetyl-N-prop-2-ynylacetamide?
The InChIKey is YXINTNZBEGOUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-4-5-8(6(2)9)7(3)10/h1H,5H2,2-3H3.
What are the key properties of N-acetyl-N-prop-2-ynylacetamide?
N-acetyl-N-prop-2-ynylacetamide has a molecular weight of 139.15 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 14025452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).