N-ethylprop-2-ynamide

C5H7NO — CID 15741339

IUPACN-ethylprop-2-ynamide
SMILESC#CC(=O)NCC
InChIInChI=1S/C5H7NO/c1-3-5(7)6-4-2/h1H,4H2,2H3,(H,6,7)
InChIKeyFZJYKFBXZVSIRY-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.24
Rot. Bonds1

About N-ethylprop-2-ynamide

N-ethylprop-2-ynamide (PubChem CID 15741339) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is N-ethylprop-2-ynamide.

Molecular Properties

Compound NameN-ethylprop-2-ynamide
PubChem CID15741339
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC NameN-ethylprop-2-ynamide
SMILESC#CC(=O)NCC
InChIInChI=1S/C5H7NO/c1-3-5(7)6-4-2/h1H,4H2,2H3,(H,6,7)
InChIKeyFZJYKFBXZVSIRY-UHFFFAOYSA-N
XLogP-0.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethylacetamide
CID 12253
N-Propylacetamide
CID 21407
N-(prop-2-yn-1-yl)acetamide
CID 240796
N-methylprop-2-ynamide
CID 15208558
N-(prop-2-yn-1-yl)propanamide
CID 12155512
N-prop-2-ynylprop-2-ynamide
CID 10701796
N-(but-3-yn-1-yl)acetamide
CID 56765705
N,N'-diethylbut-2-ynediamide
CID 315402
N-Butyl 2-propynamide
CID 19434628
N-Propargylisobutyramide
CID 22953749
2-iodo-N-(prop-2-yn-1-yl)acetamide
CID 58992338
CID 60103445
CID 60103445

Frequently Asked Questions

What is the IUPAC name of N-ethylprop-2-ynamide?
The IUPAC name of N-ethylprop-2-ynamide (CID 15741339) is N-ethylprop-2-ynamide.
What is the SMILES notation for N-ethylprop-2-ynamide?
The canonical SMILES for N-ethylprop-2-ynamide is C#CC(=O)NCC.
What is the InChIKey of N-ethylprop-2-ynamide?
The InChIKey is FZJYKFBXZVSIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-3-5(7)6-4-2/h1H,4H2,2H3,(H,6,7).
What are the key properties of N-ethylprop-2-ynamide?
N-ethylprop-2-ynamide has a molecular weight of 97.12 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylprop-2-ynamide is sourced from PubChem (CID 15741339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).