2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol

C10H19NO2 — CID 87687899

IUPAC2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol
SMILESC=CCC(CO)(CC=C)NCCO
InChIInChI=1S/C10H19NO2/c1-3-5-10(9-13,6-4-2)11-7-8-12/h3-4,11-13H,1-2,5-9H2
InChIKeyKMHFHHNIUAUSTN-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.45
Rot. Bonds8

About 2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol

2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol (PubChem CID 87687899) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol
PubChem CID87687899
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol
SMILESC=CCC(CO)(CC=C)NCCO
InChIInChI=1S/C10H19NO2/c1-3-5-10(9-13,6-4-2)11-7-8-12/h3-4,11-13H,1-2,5-9H2
InChIKeyKMHFHHNIUAUSTN-UHFFFAOYSA-N
XLogP0.45
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol?
The IUPAC name of 2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol (CID 87687899) is 2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol is C=CCC(CO)(CC=C)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol?
The InChIKey is KMHFHHNIUAUSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-5-10(9-13,6-4-2)11-7-8-12/h3-4,11-13H,1-2,5-9H2.
What are the key properties of 2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol?
2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol has a molecular weight of 185.27 g/mol, XLogP of 0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-prop-2-enylpent-4-en-1-ol is sourced from PubChem (CID 87687899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).