N-pent-3-ynylprop-2-ynamide

C8H9NO — CID 104581196

IUPACN-pent-3-ynylprop-2-ynamide
SMILESC#CC(=O)NCCC#CC
InChIInChI=1S/C8H9NO/c1-3-5-6-7-9-8(10)4-2/h2H,6-7H2,1H3,(H,9,10)
InChIKeyGIPXKGWSXKVOCN-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.15
Rot. Bonds2

About N-pent-3-ynylprop-2-ynamide

N-pent-3-ynylprop-2-ynamide (PubChem CID 104581196) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is N-pent-3-ynylprop-2-ynamide.

Molecular Properties

Compound NameN-pent-3-ynylprop-2-ynamide
PubChem CID104581196
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC NameN-pent-3-ynylprop-2-ynamide
SMILESC#CC(=O)NCCC#CC
InChIInChI=1S/C8H9NO/c1-3-5-6-7-9-8(10)4-2/h2H,6-7H2,1H3,(H,9,10)
InChIKeyGIPXKGWSXKVOCN-UHFFFAOYSA-N
XLogP0.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pent-3-ynylbut-2-ynamide
CID 107992893
1-methyl-3-pent-3-ynylurea
CID 116645214
2-chloro-N-pent-3-ynylacetamide
CID 116643290
N-(2-acetamidoethyl)prop-2-ynamide
CID 130886003
N-pent-3-ynylcyclohexanecarboxamide
CID 115977262
N-(3-sulfanylpropyl)prop-2-ynamide
CID 170149146
(2R)-2-amino-N-pent-3-ynylbutanamide
CID 104891645
N-[3-(dimethylamino)propyl]prop-2-ynamide
CID 126549211
N-[(3R)-3-hydroxybutyl]prop-2-ynamide
CID 130636793
methyl 3-(prop-2-ynoylamino)propanoate
CID 61294653
2-(pent-3-ynylcarbamoylamino)pent-4-ynoic acid
CID 116644889
4,4-difluoro-N-pent-3-ynylcyclohexane-1-carboxamide
CID 104581214

Frequently Asked Questions

What is the IUPAC name of N-pent-3-ynylprop-2-ynamide?
The IUPAC name of N-pent-3-ynylprop-2-ynamide (CID 104581196) is N-pent-3-ynylprop-2-ynamide.
What is the SMILES notation for N-pent-3-ynylprop-2-ynamide?
The canonical SMILES for N-pent-3-ynylprop-2-ynamide is C#CC(=O)NCCC#CC.
What is the InChIKey of N-pent-3-ynylprop-2-ynamide?
The InChIKey is GIPXKGWSXKVOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-3-5-6-7-9-8(10)4-2/h2H,6-7H2,1H3,(H,9,10).
What are the key properties of N-pent-3-ynylprop-2-ynamide?
N-pent-3-ynylprop-2-ynamide has a molecular weight of 135.17 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-ynylprop-2-ynamide is sourced from PubChem (CID 104581196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).