(2-hydroxy-2-prop-2-enylpent-4-enyl)azanium

C8H16NO+ — CID 7438866

IUPAC(2-hydroxy-2-prop-2-enylpent-4-enyl)azanium
SMILESC=CCC(O)(C[NH3+])CC=C
InChIInChI=1S/C8H15NO/c1-3-5-8(10,7-9)6-4-2/h3-4,10H,1-2,5-7,9H2/p+1
InChIKeyWZMOMSZBBJYAOE-UHFFFAOYSA-O
MW142.22 g/mol
LogP0.11
Rot. Bonds5

About (2-hydroxy-2-prop-2-enylpent-4-enyl)azanium

(2-hydroxy-2-prop-2-enylpent-4-enyl)azanium (PubChem CID 7438866) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is (2-hydroxy-2-prop-2-enylpent-4-enyl)azanium.

Molecular Properties

Compound Name(2-hydroxy-2-prop-2-enylpent-4-enyl)azanium
PubChem CID7438866
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name(2-hydroxy-2-prop-2-enylpent-4-enyl)azanium
SMILESC=CCC(O)(C[NH3+])CC=C
InChIInChI=1S/C8H15NO/c1-3-5-8(10,7-9)6-4-2/h3-4,10H,1-2,5-7,9H2/p+1
InChIKeyWZMOMSZBBJYAOE-UHFFFAOYSA-O
XLogP0.11
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-hydroxy-2-prop-2-enylpent-4-enyl)azanium?
The IUPAC name of (2-hydroxy-2-prop-2-enylpent-4-enyl)azanium (CID 7438866) is (2-hydroxy-2-prop-2-enylpent-4-enyl)azanium.
What is the SMILES notation for (2-hydroxy-2-prop-2-enylpent-4-enyl)azanium?
The canonical SMILES for (2-hydroxy-2-prop-2-enylpent-4-enyl)azanium is C=CCC(O)(C[NH3+])CC=C.
What is the InChIKey of (2-hydroxy-2-prop-2-enylpent-4-enyl)azanium?
The InChIKey is WZMOMSZBBJYAOE-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO/c1-3-5-8(10,7-9)6-4-2/h3-4,10H,1-2,5-7,9H2/p+1.
What are the key properties of (2-hydroxy-2-prop-2-enylpent-4-enyl)azanium?
(2-hydroxy-2-prop-2-enylpent-4-enyl)azanium has a molecular weight of 142.22 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-prop-2-enylpent-4-enyl)azanium is sourced from PubChem (CID 7438866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).