N-(2-acetamidoethyl)prop-2-ynamide

C7H10N2O2 — CID 130886003

IUPACN-(2-acetamidoethyl)prop-2-ynamide
SMILESC#CC(=O)NCCNC(C)=O
InChIInChI=1S/C7H10N2O2/c1-3-7(11)9-5-4-8-6(2)10/h1H,4-5H2,2H3,(H,8,10)(H,9,11)
InChIKeyMHEGNSKDXHVGPX-UHFFFAOYSA-N
MW154.17 g/mol
LogP-1.13
Rot. Bonds3

About N-(2-acetamidoethyl)prop-2-ynamide

N-(2-acetamidoethyl)prop-2-ynamide (PubChem CID 130886003) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is N-(2-acetamidoethyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)prop-2-ynamide
PubChem CID130886003
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC NameN-(2-acetamidoethyl)prop-2-ynamide
SMILESC#CC(=O)NCCNC(C)=O
InChIInChI=1S/C7H10N2O2/c1-3-7(11)9-5-4-8-6(2)10/h1H,4-5H2,2H3,(H,8,10)(H,9,11)
InChIKeyMHEGNSKDXHVGPX-UHFFFAOYSA-N
XLogP-1.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-acetamidoethyl)prop-2-ynamide?
The IUPAC name of N-(2-acetamidoethyl)prop-2-ynamide (CID 130886003) is N-(2-acetamidoethyl)prop-2-ynamide.
What is the SMILES notation for N-(2-acetamidoethyl)prop-2-ynamide?
The canonical SMILES for N-(2-acetamidoethyl)prop-2-ynamide is C#CC(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)prop-2-ynamide?
The InChIKey is MHEGNSKDXHVGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-7(11)9-5-4-8-6(2)10/h1H,4-5H2,2H3,(H,8,10)(H,9,11).
What are the key properties of N-(2-acetamidoethyl)prop-2-ynamide?
N-(2-acetamidoethyl)prop-2-ynamide has a molecular weight of 154.17 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)prop-2-ynamide is sourced from PubChem (CID 130886003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).