1-(2-hydroxyethylamino)pent-4-en-2-ol

C7H15NO2 — CID 87532926

IUPAC1-(2-hydroxyethylamino)pent-4-en-2-ol
SMILESC=CCC(O)CNCCO
InChIInChI=1S/C7H15NO2/c1-2-3-7(10)6-8-4-5-9/h2,7-10H,1,3-6H2
InChIKeyUXQASVFQZFGETM-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.49
Rot. Bonds6

About 1-(2-hydroxyethylamino)pent-4-en-2-ol

1-(2-hydroxyethylamino)pent-4-en-2-ol (PubChem CID 87532926) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)pent-4-en-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)pent-4-en-2-ol
PubChem CID87532926
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-(2-hydroxyethylamino)pent-4-en-2-ol
SMILESC=CCC(O)CNCCO
InChIInChI=1S/C7H15NO2/c1-2-3-7(10)6-8-4-5-9/h2,7-10H,1,3-6H2
InChIKeyUXQASVFQZFGETM-UHFFFAOYSA-N
XLogP-0.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1-(2-hydroxyethylamino)pent-4-en-2-ol?
The IUPAC name of 1-(2-hydroxyethylamino)pent-4-en-2-ol (CID 87532926) is 1-(2-hydroxyethylamino)pent-4-en-2-ol.
What is the SMILES notation for 1-(2-hydroxyethylamino)pent-4-en-2-ol?
The canonical SMILES for 1-(2-hydroxyethylamino)pent-4-en-2-ol is C=CCC(O)CNCCO.
What is the InChIKey of 1-(2-hydroxyethylamino)pent-4-en-2-ol?
The InChIKey is UXQASVFQZFGETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-3-7(10)6-8-4-5-9/h2,7-10H,1,3-6H2.
What are the key properties of 1-(2-hydroxyethylamino)pent-4-en-2-ol?
1-(2-hydroxyethylamino)pent-4-en-2-ol has a molecular weight of 145.20 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)pent-4-en-2-ol is sourced from PubChem (CID 87532926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).