4-(2-hydroxyethylamino)pent-3-en-2-one

C7H13NO2 — CID 3506622

IUPAC4-(2-hydroxyethylamino)pent-3-en-2-one
SMILESCC(=O)C=C(C)NCCO
InChIInChI=1S/C7H13NO2/c1-6(5-7(2)10)8-3-4-9/h5,8-9H,3-4H2,1-2H3
InChIKeyCNRDGDCLFLAOFB-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.06
Rot. Bonds4

About 4-(2-hydroxyethylamino)pent-3-en-2-one

4-(2-hydroxyethylamino)pent-3-en-2-one (PubChem CID 3506622) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)pent-3-en-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)pent-3-en-2-one
PubChem CID3506622
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-(2-hydroxyethylamino)pent-3-en-2-one
SMILESCC(=O)C=C(C)NCCO
InChIInChI=1S/C7H13NO2/c1-6(5-7(2)10)8-3-4-9/h5,8-9H,3-4H2,1-2H3
InChIKeyCNRDGDCLFLAOFB-UHFFFAOYSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)pent-3-en-2-one?
The IUPAC name of 4-(2-hydroxyethylamino)pent-3-en-2-one (CID 3506622) is 4-(2-hydroxyethylamino)pent-3-en-2-one.
What is the SMILES notation for 4-(2-hydroxyethylamino)pent-3-en-2-one?
The canonical SMILES for 4-(2-hydroxyethylamino)pent-3-en-2-one is CC(=O)C=C(C)NCCO.
What is the InChIKey of 4-(2-hydroxyethylamino)pent-3-en-2-one?
The InChIKey is CNRDGDCLFLAOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(5-7(2)10)8-3-4-9/h5,8-9H,3-4H2,1-2H3.
What are the key properties of 4-(2-hydroxyethylamino)pent-3-en-2-one?
4-(2-hydroxyethylamino)pent-3-en-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)pent-3-en-2-one is sourced from PubChem (CID 3506622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).