N-ethynoxymethanamine

C3H5NO — CID 20650862

IUPACN-ethynoxymethanamine
SMILESC#CONC
InChIInChI=1S/C3H5NO/c1-3-5-4-2/h1,4H,2H3
InChIKeyIMEUPDRCWNJPKZ-UHFFFAOYSA-N
MW71.08 g/mol
LogP-0.27
Rot. Bonds1

About N-ethynoxymethanamine

N-ethynoxymethanamine (PubChem CID 20650862) has the molecular formula C3H5NO and a molecular weight of 71.08 g/mol. Its IUPAC name is N-ethynoxymethanamine.

Molecular Properties

Compound NameN-ethynoxymethanamine
PubChem CID20650862
Molecular FormulaC3H5NO
Molecular Weight71.08 g/mol
Exact Mass71.04
IUPAC NameN-ethynoxymethanamine
SMILESC#CONC
InChIInChI=1S/C3H5NO/c1-3-5-4-2/h1,4H,2H3
InChIKeyIMEUPDRCWNJPKZ-UHFFFAOYSA-N
XLogP-0.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.08
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethynoxymethanamine?
The IUPAC name of N-ethynoxymethanamine (CID 20650862) is N-ethynoxymethanamine.
What is the SMILES notation for N-ethynoxymethanamine?
The canonical SMILES for N-ethynoxymethanamine is C#CONC.
What is the InChIKey of N-ethynoxymethanamine?
The InChIKey is IMEUPDRCWNJPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO/c1-3-5-4-2/h1,4H,2H3.
What are the key properties of N-ethynoxymethanamine?
N-ethynoxymethanamine has a molecular weight of 71.08 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethynoxymethanamine is sourced from PubChem (CID 20650862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).