1-(2-hydroxyethylamino)propan-2-one

C5H11NO2 — CID 21335364

IUPAC1-(2-hydroxyethylamino)propan-2-one
SMILESCC(=O)CNCCO
InChIInChI=1S/C5H11NO2/c1-5(8)4-6-2-3-7/h6-7H,2-4H2,1H3
InChIKeySQGQRLNPEOLXOR-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.84
Rot. Bonds4

About 1-(2-hydroxyethylamino)propan-2-one

1-(2-hydroxyethylamino)propan-2-one (PubChem CID 21335364) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)propan-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)propan-2-one
PubChem CID21335364
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-(2-hydroxyethylamino)propan-2-one
SMILESCC(=O)CNCCO
InChIInChI=1S/C5H11NO2/c1-5(8)4-6-2-3-7/h6-7H,2-4H2,1H3
InChIKeySQGQRLNPEOLXOR-UHFFFAOYSA-N
XLogP-0.84
TPSA49.33 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 ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)propan-2-one?
The IUPAC name of 1-(2-hydroxyethylamino)propan-2-one (CID 21335364) is 1-(2-hydroxyethylamino)propan-2-one.
What is the SMILES notation for 1-(2-hydroxyethylamino)propan-2-one?
The canonical SMILES for 1-(2-hydroxyethylamino)propan-2-one is CC(=O)CNCCO.
What is the InChIKey of 1-(2-hydroxyethylamino)propan-2-one?
The InChIKey is SQGQRLNPEOLXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(8)4-6-2-3-7/h6-7H,2-4H2,1H3.
What are the key properties of 1-(2-hydroxyethylamino)propan-2-one?
1-(2-hydroxyethylamino)propan-2-one has a molecular weight of 117.15 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)propan-2-one is sourced from PubChem (CID 21335364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).