N-methyl-N-prop-2-ynylprop-2-ynamide

C7H7NO — CID 10606728

IUPACN-methyl-N-prop-2-ynylprop-2-ynamide
SMILESC#CCN(C)C(=O)C#C
InChIInChI=1S/C7H7NO/c1-4-6-8(3)7(9)5-2/h1-2H,6H2,3H3
InChIKeyGISORUGHZYBYMB-UHFFFAOYSA-N
MW121.14 g/mol
LogP-0.29
Rot. Bonds1

About N-methyl-N-prop-2-ynylprop-2-ynamide

N-methyl-N-prop-2-ynylprop-2-ynamide (PubChem CID 10606728) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynylprop-2-ynamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynylprop-2-ynamide
PubChem CID10606728
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC NameN-methyl-N-prop-2-ynylprop-2-ynamide
SMILESC#CCN(C)C(=O)C#C
InChIInChI=1S/C7H7NO/c1-4-6-8(3)7(9)5-2/h1-2H,6H2,3H3
InChIKeyGISORUGHZYBYMB-UHFFFAOYSA-N
XLogP-0.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynylprop-2-ynamide?
The IUPAC name of N-methyl-N-prop-2-ynylprop-2-ynamide (CID 10606728) is N-methyl-N-prop-2-ynylprop-2-ynamide.
What is the SMILES notation for N-methyl-N-prop-2-ynylprop-2-ynamide?
The canonical SMILES for N-methyl-N-prop-2-ynylprop-2-ynamide is C#CCN(C)C(=O)C#C.
What is the InChIKey of N-methyl-N-prop-2-ynylprop-2-ynamide?
The InChIKey is GISORUGHZYBYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-4-6-8(3)7(9)5-2/h1-2H,6H2,3H3.
What are the key properties of N-methyl-N-prop-2-ynylprop-2-ynamide?
N-methyl-N-prop-2-ynylprop-2-ynamide has a molecular weight of 121.14 g/mol, XLogP of -0.29, 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-ynylprop-2-ynamide is sourced from PubChem (CID 10606728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).