N-methyl-N-(3-oxopropyl)but-2-ynamide

C8H11NO2 — CID 143826585

IUPACN-methyl-N-(3-oxopropyl)but-2-ynamide
SMILESCC#CC(=O)N(C)CCC=O
InChIInChI=1S/C8H11NO2/c1-3-5-8(11)9(2)6-4-7-10/h7H,4,6H2,1-2H3
InChIKeyQSOJXNPVAXGELM-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.06
Rot. Bonds3

About N-methyl-N-(3-oxopropyl)but-2-ynamide

N-methyl-N-(3-oxopropyl)but-2-ynamide (PubChem CID 143826585) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N-methyl-N-(3-oxopropyl)but-2-ynamide.

Molecular Properties

Compound NameN-methyl-N-(3-oxopropyl)but-2-ynamide
PubChem CID143826585
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN-methyl-N-(3-oxopropyl)but-2-ynamide
SMILESCC#CC(=O)N(C)CCC=O
InChIInChI=1S/C8H11NO2/c1-3-5-8(11)9(2)6-4-7-10/h7H,4,6H2,1-2H3
InChIKeyQSOJXNPVAXGELM-UHFFFAOYSA-N
XLogP0.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-enyl-N-methylbut-2-ynamide
CID 131208722
N-(2-methoxyethyl)-N-methylbut-2-ynamide
CID 131224472
ethane;N-methyl-N-(3-oxopropyl)acetamide
CID 143162499
N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide
CID 106741532
2-[2-[but-2-ynoyl(methyl)amino]ethyl]benzoic acid
CID 107986971
N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide
CID 107262082
N-(cyclopenta-1,3-dien-1-ylmethyl)-N-methylbut-2-ynamide
CID 89162521
3-[bis(3-oxopropyl)amino]propanal
CID 89031167
N-hexyl-3-iodo-N-methylprop-2-ynamide
CID 139991390
2-[but-2-ynoyl(propyl)amino]acetic acid
CID 107986529
3-[(2-hydroxy-2-methylpropyl)-methylamino]propanal
CID 79390637
N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide
CID 166403316

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-oxopropyl)but-2-ynamide?
The IUPAC name of N-methyl-N-(3-oxopropyl)but-2-ynamide (CID 143826585) is N-methyl-N-(3-oxopropyl)but-2-ynamide.
What is the SMILES notation for N-methyl-N-(3-oxopropyl)but-2-ynamide?
The canonical SMILES for N-methyl-N-(3-oxopropyl)but-2-ynamide is CC#CC(=O)N(C)CCC=O.
What is the InChIKey of N-methyl-N-(3-oxopropyl)but-2-ynamide?
The InChIKey is QSOJXNPVAXGELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-5-8(11)9(2)6-4-7-10/h7H,4,6H2,1-2H3.
What are the key properties of N-methyl-N-(3-oxopropyl)but-2-ynamide?
N-methyl-N-(3-oxopropyl)but-2-ynamide has a molecular weight of 153.18 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-oxopropyl)but-2-ynamide is sourced from PubChem (CID 143826585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).