1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol

C7H15NO3 — CID 155123360

IUPAC1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol
SMILESC=CCC(O)CN(O)CCO
InChIInChI=1S/C7H15NO3/c1-2-3-7(10)6-8(11)4-5-9/h2,7,9-11H,1,3-6H2
InChIKeyPQIPIHGFGIILRV-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.39
Rot. Bonds6

About 1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol

1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol (PubChem CID 155123360) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol.

Molecular Properties

Compound Name1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol
PubChem CID155123360
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol
SMILESC=CCC(O)CN(O)CCO
InChIInChI=1S/C7H15NO3/c1-2-3-7(10)6-8(11)4-5-9/h2,7,9-11H,1,3-6H2
InChIKeyPQIPIHGFGIILRV-UHFFFAOYSA-N
XLogP-0.39
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol?
The IUPAC name of 1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol (CID 155123360) is 1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol.
What is the SMILES notation for 1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol?
The canonical SMILES for 1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol is C=CCC(O)CN(O)CCO.
What is the InChIKey of 1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol?
The InChIKey is PQIPIHGFGIILRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-3-7(10)6-8(11)4-5-9/h2,7,9-11H,1,3-6H2.
What are the key properties of 1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol?
1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol has a molecular weight of 161.20 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol is sourced from PubChem (CID 155123360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).