1-amino-2-prop-2-enoxyethanol

C5H11NO2 — CID 89440896

IUPAC1-amino-2-prop-2-enoxyethanol
SMILESC=CCOCC(N)O
InChIInChI=1S/C5H11NO2/c1-2-3-8-4-5(6)7/h2,5,7H,1,3-4,6H2
InChIKeyIIILZEDUYHTYJH-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.53
Rot. Bonds4

About 1-amino-2-prop-2-enoxyethanol

1-amino-2-prop-2-enoxyethanol (PubChem CID 89440896) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-amino-2-prop-2-enoxyethanol.

Molecular Properties

Compound Name1-amino-2-prop-2-enoxyethanol
PubChem CID89440896
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-amino-2-prop-2-enoxyethanol
SMILESC=CCOCC(N)O
InChIInChI=1S/C5H11NO2/c1-2-3-8-4-5(6)7/h2,5,7H,1,3-4,6H2
InChIKeyIIILZEDUYHTYJH-UHFFFAOYSA-N
XLogP-0.53
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-prop-2-enoxyethanol?
The IUPAC name of 1-amino-2-prop-2-enoxyethanol (CID 89440896) is 1-amino-2-prop-2-enoxyethanol.
What is the SMILES notation for 1-amino-2-prop-2-enoxyethanol?
The canonical SMILES for 1-amino-2-prop-2-enoxyethanol is C=CCOCC(N)O.
What is the InChIKey of 1-amino-2-prop-2-enoxyethanol?
The InChIKey is IIILZEDUYHTYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-3-8-4-5(6)7/h2,5,7H,1,3-4,6H2.
What are the key properties of 1-amino-2-prop-2-enoxyethanol?
1-amino-2-prop-2-enoxyethanol has a molecular weight of 117.15 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-prop-2-enoxyethanol is sourced from PubChem (CID 89440896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).