2-methoxy-N-prop-2-ynylacetamide

C6H9NO2 — CID 11252011

IUPAC2-methoxy-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COC
InChIInChI=1S/C6H9NO2/c1-3-4-7-6(8)5-9-2/h1H,4-5H2,2H3,(H,7,8)
InChIKeyASVNVOFTXOJVMO-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.62
Rot. Bonds3

About 2-methoxy-N-prop-2-ynylacetamide

2-methoxy-N-prop-2-ynylacetamide (PubChem CID 11252011) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-methoxy-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-methoxy-N-prop-2-ynylacetamide
PubChem CID11252011
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-methoxy-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COC
InChIInChI=1S/C6H9NO2/c1-3-4-7-6(8)5-9-2/h1H,4-5H2,2H3,(H,7,8)
InChIKeyASVNVOFTXOJVMO-UHFFFAOYSA-N
XLogP-0.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxy-N-prop-2-ynylacetamide?
The IUPAC name of 2-methoxy-N-prop-2-ynylacetamide (CID 11252011) is 2-methoxy-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-methoxy-N-prop-2-ynylacetamide?
The canonical SMILES for 2-methoxy-N-prop-2-ynylacetamide is C#CCNC(=O)COC.
What is the InChIKey of 2-methoxy-N-prop-2-ynylacetamide?
The InChIKey is ASVNVOFTXOJVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-4-7-6(8)5-9-2/h1H,4-5H2,2H3,(H,7,8).
What are the key properties of 2-methoxy-N-prop-2-ynylacetamide?
2-methoxy-N-prop-2-ynylacetamide has a molecular weight of 127.14 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-prop-2-ynylacetamide is sourced from PubChem (CID 11252011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).