N-methyl-N-prop-2-ynylacetamide

C6H9NO — CID 29033

IUPACN-methyl-N-prop-2-ynylacetamide
SMILESC#CCN(C)C(C)=O
InChIInChI=1S/C6H9NO/c1-4-5-7(3)6(2)8/h1H,5H2,2-3H3
InChIKeyVYAMKMQYVSEZSB-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.10
Rot. Bonds1

About N-methyl-N-prop-2-ynylacetamide

N-methyl-N-prop-2-ynylacetamide (PubChem CID 29033) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynylacetamide
PubChem CID29033
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-methyl-N-prop-2-ynylacetamide
SMILESC#CCN(C)C(C)=O
InChIInChI=1S/C6H9NO/c1-4-5-7(3)6(2)8/h1H,5H2,2-3H3
InChIKeyVYAMKMQYVSEZSB-UHFFFAOYSA-N
XLogP0.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethylacetamide
CID 12703
N-(4-Dimethylamino-but-2-ynyl)-N-methyl-acetamide
CID 19718
N,N-dimethylbut-2-ynamide
CID 549168
N-Ethyl-N-methylacetamide
CID 13390905
N,N-dimethylprop-2-ynamide
CID 11240440
N-methylacetamide-oxotremorine M
CID 19719
N,N-Di(prop-2-yn-1-yl)acetamide
CID 299625
Propynamide, N,N-diisopropyl-
CID 565874
2-Heptynamide, N,N-diethyl-
CID 572842
N,N-diethylbut-2-ynamide
CID 13331595
N-methyl-N-prop-2-ynylprop-2-ynamide
CID 10606728
N-butyl-N-methylbut-2-ynamide
CID 13331593

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynylacetamide?
The IUPAC name of N-methyl-N-prop-2-ynylacetamide (CID 29033) is N-methyl-N-prop-2-ynylacetamide.
What is the SMILES notation for N-methyl-N-prop-2-ynylacetamide?
The canonical SMILES for N-methyl-N-prop-2-ynylacetamide is C#CCN(C)C(C)=O.
What is the InChIKey of N-methyl-N-prop-2-ynylacetamide?
The InChIKey is VYAMKMQYVSEZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-4-5-7(3)6(2)8/h1H,5H2,2-3H3.
What are the key properties of N-methyl-N-prop-2-ynylacetamide?
N-methyl-N-prop-2-ynylacetamide has a molecular weight of 111.14 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 29033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).