N-(5-oxopentyl)prop-2-ynamide

C8H11NO2 — CID 166777638

IUPACN-(5-oxopentyl)prop-2-ynamide
SMILESC#CC(=O)NCCCCC=O
InChIInChI=1S/C8H11NO2/c1-2-8(11)9-6-4-3-5-7-10/h1,7H,3-6H2,(H,9,11)
InChIKeyTYDSZECFJOCVDE-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.10
Rot. Bonds5

About N-(5-oxopentyl)prop-2-ynamide

N-(5-oxopentyl)prop-2-ynamide (PubChem CID 166777638) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N-(5-oxopentyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(5-oxopentyl)prop-2-ynamide
PubChem CID166777638
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN-(5-oxopentyl)prop-2-ynamide
SMILESC#CC(=O)NCCCCC=O
InChIInChI=1S/C8H11NO2/c1-2-8(11)9-6-4-3-5-7-10/h1,7H,3-6H2,(H,9,11)
InChIKeyTYDSZECFJOCVDE-UHFFFAOYSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)prop-2-ynamide
CID 130886003
N-(3-sulfanylpropyl)prop-2-ynamide
CID 170149146
N-(4-oxobutyl)carbamate
CID 18436941
N-[3-[3-[3-(but-1-en-3-yn-2-ylamino)propylamino]propylamino]propyl]prop-2-ynamide
CID 89382666
heptanal;hexylcarbamic acid
CID 158316661
ethyl N-(5-oxopentyl)carbamate
CID 58601506
4-amino-N-(6-oxohexyl)butanamide
CID 155175150
6-oxo-N-pentylhexanamide
CID 90124095
N-[3-(dimethylamino)propyl]prop-2-ynamide
CID 126549211
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
14-oxo-N-pentadecyltetradecanamide
CID 90756507
N-(10-aminodecyl)-10-oxodecanamide
CID 174322290

Frequently Asked Questions

What is the IUPAC name of N-(5-oxopentyl)prop-2-ynamide?
The IUPAC name of N-(5-oxopentyl)prop-2-ynamide (CID 166777638) is N-(5-oxopentyl)prop-2-ynamide.
What is the SMILES notation for N-(5-oxopentyl)prop-2-ynamide?
The canonical SMILES for N-(5-oxopentyl)prop-2-ynamide is C#CC(=O)NCCCCC=O.
What is the InChIKey of N-(5-oxopentyl)prop-2-ynamide?
The InChIKey is TYDSZECFJOCVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-8(11)9-6-4-3-5-7-10/h1,7H,3-6H2,(H,9,11).
What are the key properties of N-(5-oxopentyl)prop-2-ynamide?
N-(5-oxopentyl)prop-2-ynamide has a molecular weight of 153.18 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxopentyl)prop-2-ynamide is sourced from PubChem (CID 166777638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).