2-(ethylamino)ethynol

C4H7NO — CID 173430999

IUPAC2-(ethylamino)ethynol
SMILESCCNC#CO
InChIInChI=1S/C4H7NO/c1-2-5-3-4-6/h5-6H,2H2,1H3
InChIKeyKHRVDKMNSCWQIZ-UHFFFAOYSA-N
MW85.11 g/mol
LogP-0.11
Rot. Bonds1

About 2-(ethylamino)ethynol

2-(ethylamino)ethynol (PubChem CID 173430999) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is 2-(ethylamino)ethynol.

Molecular Properties

Compound Name2-(ethylamino)ethynol
PubChem CID173430999
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name2-(ethylamino)ethynol
SMILESCCNC#CO
InChIInChI=1S/C4H7NO/c1-2-5-3-4-6/h5-6H,2H2,1H3
InChIKeyKHRVDKMNSCWQIZ-UHFFFAOYSA-N
XLogP-0.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethynol?
The IUPAC name of 2-(ethylamino)ethynol (CID 173430999) is 2-(ethylamino)ethynol.
What is the SMILES notation for 2-(ethylamino)ethynol?
The canonical SMILES for 2-(ethylamino)ethynol is CCNC#CO.
What is the InChIKey of 2-(ethylamino)ethynol?
The InChIKey is KHRVDKMNSCWQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-2-5-3-4-6/h5-6H,2H2,1H3.
What are the key properties of 2-(ethylamino)ethynol?
2-(ethylamino)ethynol has a molecular weight of 85.11 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethynol is sourced from PubChem (CID 173430999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).