N-(1-aminoprop-2-ynyl)acetamide

C5H8N2O — CID 140615276

IUPACN-(1-aminoprop-2-ynyl)acetamide
SMILESC#CC(N)NC(C)=O
InChIInChI=1S/C5H8N2O/c1-3-5(6)7-4(2)8/h1,5H,6H2,2H3,(H,7,8)
InChIKeyYMMUQPYZAKJGPH-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.96
Rot. Bonds1

About N-(1-aminoprop-2-ynyl)acetamide

N-(1-aminoprop-2-ynyl)acetamide (PubChem CID 140615276) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N-(1-aminoprop-2-ynyl)acetamide.

Molecular Properties

Compound NameN-(1-aminoprop-2-ynyl)acetamide
PubChem CID140615276
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN-(1-aminoprop-2-ynyl)acetamide
SMILESC#CC(N)NC(C)=O
InChIInChI=1S/C5H8N2O/c1-3-5(6)7-4(2)8/h1,5H,6H2,2H3,(H,7,8)
InChIKeyYMMUQPYZAKJGPH-UHFFFAOYSA-N
XLogP-0.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminoprop-2-ynyl)acetamide;hydrochloride
CID 140615275
N-(4-methylpent-1-yn-3-yl)acetamide
CID 123211812
N-[(3S)-5-oxohex-1-yn-3-yl]acetamide
CID 134426520
N-[(2S)-3-aminobutan-2-yl]acetamide
CID 58714923
2-amino-N-but-3-yn-2-ylpropanamide
CID 114417070
N-(1-phenylprop-2-ynyl)acetamide
CID 15014547
N-(1-amino-2,2,2-trichloroethyl)acetamide
CID 20538829
N-(2-methylhex-5-yn-3-yl)acetamide
CID 130015615
(2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide
CID 104921675
N-[(1S)-1-amino-3-methylbutyl]acetamide
CID 58319717
(2S)-2-[[(2S)-2-aminopropanoyl]amino]but-3-ynoic acid
CID 137459182
N-[hydroxy(methylsulfanyl)methyl]acetamide
CID 163482156

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoprop-2-ynyl)acetamide?
The IUPAC name of N-(1-aminoprop-2-ynyl)acetamide (CID 140615276) is N-(1-aminoprop-2-ynyl)acetamide.
What is the SMILES notation for N-(1-aminoprop-2-ynyl)acetamide?
The canonical SMILES for N-(1-aminoprop-2-ynyl)acetamide is C#CC(N)NC(C)=O.
What is the InChIKey of N-(1-aminoprop-2-ynyl)acetamide?
The InChIKey is YMMUQPYZAKJGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-3-5(6)7-4(2)8/h1,5H,6H2,2H3,(H,7,8).
What are the key properties of N-(1-aminoprop-2-ynyl)acetamide?
N-(1-aminoprop-2-ynyl)acetamide has a molecular weight of 112.13 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoprop-2-ynyl)acetamide is sourced from PubChem (CID 140615276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).