2-methyl-N-prop-2-ynylpropanamide

C7H11NO — CID 22953749

IUPAC2-methyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)C
InChIInChI=1S/C7H11NO/c1-4-5-8-7(9)6(2)3/h1,6H,5H2,2-3H3,(H,8,9)
InChIKeyPJIIDRNMSVYJFJ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.39
Rot. Bonds2

About 2-methyl-N-prop-2-ynylpropanamide

2-methyl-N-prop-2-ynylpropanamide (PubChem CID 22953749) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-methyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-ynylpropanamide
PubChem CID22953749
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-methyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)C
InChIInChI=1S/C7H11NO/c1-4-5-8-7(9)6(2)3/h1,6H,5H2,2-3H3,(H,8,9)
InChIKeyPJIIDRNMSVYJFJ-UHFFFAOYSA-N
XLogP0.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.39
H-Bond Donors ≤ 51
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 2-methyl-N-prop-2-ynylpropanamide?
The IUPAC name of 2-methyl-N-prop-2-ynylpropanamide (CID 22953749) is 2-methyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-methyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-methyl-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-prop-2-ynylpropanamide?
The InChIKey is PJIIDRNMSVYJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-5-8-7(9)6(2)3/h1,6H,5H2,2-3H3,(H,8,9).
What are the key properties of 2-methyl-N-prop-2-ynylpropanamide?
2-methyl-N-prop-2-ynylpropanamide has a molecular weight of 125.17 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 22953749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).