2-aminoethanol;2-prop-2-enoxyethanol

C7H17NO3 — CID 146309748

IUPAC2-aminoethanol;2-prop-2-enoxyethanol
SMILESC=CCOCCO.NCCO
InChIInChI=1S/C5H10O2.C2H7NO/c1-2-4-7-5-3-6;3-1-2-4/h2,6H,1,3-5H2;4H,1-3H2
InChIKeyQJTXIIHSDQRAAD-UHFFFAOYSA-N
MW163.22 g/mol
LogP-0.88
Rot. Bonds5

About 2-aminoethanol;2-prop-2-enoxyethanol

2-aminoethanol;2-prop-2-enoxyethanol (PubChem CID 146309748) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-aminoethanol;2-prop-2-enoxyethanol.

Molecular Properties

Compound Name2-aminoethanol;2-prop-2-enoxyethanol
PubChem CID146309748
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name2-aminoethanol;2-prop-2-enoxyethanol
SMILESC=CCOCCO.NCCO
InChIInChI=1S/C5H10O2.C2H7NO/c1-2-4-7-5-3-6;3-1-2-4/h2,6H,1,3-5H2;4H,1-3H2
InChIKeyQJTXIIHSDQRAAD-UHFFFAOYSA-N
XLogP-0.88
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-prop-2-enoxyethanol?
The IUPAC name of 2-aminoethanol;2-prop-2-enoxyethanol (CID 146309748) is 2-aminoethanol;2-prop-2-enoxyethanol.
What is the SMILES notation for 2-aminoethanol;2-prop-2-enoxyethanol?
The canonical SMILES for 2-aminoethanol;2-prop-2-enoxyethanol is C=CCOCCO.NCCO.
What is the InChIKey of 2-aminoethanol;2-prop-2-enoxyethanol?
The InChIKey is QJTXIIHSDQRAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C2H7NO/c1-2-4-7-5-3-6;3-1-2-4/h2,6H,1,3-5H2;4H,1-3H2.
What are the key properties of 2-aminoethanol;2-prop-2-enoxyethanol?
2-aminoethanol;2-prop-2-enoxyethanol has a molecular weight of 163.22 g/mol, XLogP of -0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-prop-2-enoxyethanol is sourced from PubChem (CID 146309748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).