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

C7H13NO2 — CID 2064213

IUPAC4-(2-hydroxyethylamino)pent-4-en-2-one
SMILESC=C(CC(C)=O)NCCO
InChIInChI=1S/C7H13NO2/c1-6(5-7(2)10)8-3-4-9/h8-9H,1,3-5H2,2H3
InChIKeyCZZYSRGLMGVPCF-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.06
Rot. Bonds5

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

4-(2-hydroxyethylamino)pent-4-en-2-one (PubChem CID 2064213) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)pent-4-en-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)pent-4-en-2-one
PubChem CID2064213
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-(2-hydroxyethylamino)pent-4-en-2-one
SMILESC=C(CC(C)=O)NCCO
InChIInChI=1S/C7H13NO2/c1-6(5-7(2)10)8-3-4-9/h8-9H,1,3-5H2,2H3
InChIKeyCZZYSRGLMGVPCF-UHFFFAOYSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)pent-4-en-2-one?
The IUPAC name of 4-(2-hydroxyethylamino)pent-4-en-2-one (CID 2064213) is 4-(2-hydroxyethylamino)pent-4-en-2-one.
What is the SMILES notation for 4-(2-hydroxyethylamino)pent-4-en-2-one?
The canonical SMILES for 4-(2-hydroxyethylamino)pent-4-en-2-one is C=C(CC(C)=O)NCCO.
What is the InChIKey of 4-(2-hydroxyethylamino)pent-4-en-2-one?
The InChIKey is CZZYSRGLMGVPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(5-7(2)10)8-3-4-9/h8-9H,1,3-5H2,2H3.
What are the key properties of 4-(2-hydroxyethylamino)pent-4-en-2-one?
4-(2-hydroxyethylamino)pent-4-en-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)pent-4-en-2-one is sourced from PubChem (CID 2064213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).