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

C5H9ClN2O — CID 140615275

IUPACN-(1-aminoprop-2-ynyl)acetamide;hydrochloride
SMILESC#CC(N)NC(C)=O.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-3-5(6)7-4(2)8;/h1,5H,6H2,2H3,(H,7,8);1H
InChIKeyPZXSEDFNEGSSBO-UHFFFAOYSA-N
MW148.59 g/mol
LogP-0.54
Rot. Bonds1

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

N-(1-aminoprop-2-ynyl)acetamide;hydrochloride (PubChem CID 140615275) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is N-(1-aminoprop-2-ynyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminoprop-2-ynyl)acetamide;hydrochloride
PubChem CID140615275
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC NameN-(1-aminoprop-2-ynyl)acetamide;hydrochloride
SMILESC#CC(N)NC(C)=O.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-3-5(6)7-4(2)8;/h1,5H,6H2,2H3,(H,7,8);1H
InChIKeyPZXSEDFNEGSSBO-UHFFFAOYSA-N
XLogP-0.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 5-0.54
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
CID 140615276
N-(4-methylpent-1-yn-3-yl)acetamide
CID 123211812
N-[(3S)-5-oxohex-1-yn-3-yl]acetamide
CID 134426520
N-(1-phenylprop-2-ynyl)acetamide
CID 15014547
N-[(2S)-3-aminobutan-2-yl]acetamide
CID 58714923
2-amino-N-but-3-yn-2-ylpropanamide
CID 114417070
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
1,1-diaminopropan-2-one;dihydrochloride
CID 21126739

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoprop-2-ynyl)acetamide;hydrochloride?
The IUPAC name of N-(1-aminoprop-2-ynyl)acetamide;hydrochloride (CID 140615275) is N-(1-aminoprop-2-ynyl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminoprop-2-ynyl)acetamide;hydrochloride?
The canonical SMILES for N-(1-aminoprop-2-ynyl)acetamide;hydrochloride is C#CC(N)NC(C)=O.Cl.
What is the InChIKey of N-(1-aminoprop-2-ynyl)acetamide;hydrochloride?
The InChIKey is PZXSEDFNEGSSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c1-3-5(6)7-4(2)8;/h1,5H,6H2,2H3,(H,7,8);1H.
What are the key properties of N-(1-aminoprop-2-ynyl)acetamide;hydrochloride?
N-(1-aminoprop-2-ynyl)acetamide;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of -0.54, 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;hydrochloride is sourced from PubChem (CID 140615275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).