2-hydroxyethenylidene(propan-2-ylidene)azanium

C5H8NO+ — CID 176518543

IUPAC2-hydroxyethenylidene(propan-2-ylidene)azanium
SMILESCC(C)=[N+]=C=CO
InChIInChI=1S/C5H7NO/c1-5(2)6-3-4-7/h4H,1-2H3/p+1
InChIKeyLXKSJZPTWGNKIR-UHFFFAOYSA-O
MW98.12 g/mol
LogP0.28
Rot. Bonds

About 2-hydroxyethenylidene(propan-2-ylidene)azanium

2-hydroxyethenylidene(propan-2-ylidene)azanium (PubChem CID 176518543) has the molecular formula C5H8NO+ and a molecular weight of 98.12 g/mol. Its IUPAC name is 2-hydroxyethenylidene(propan-2-ylidene)azanium.

Molecular Properties

Compound Name2-hydroxyethenylidene(propan-2-ylidene)azanium
PubChem CID176518543
Molecular FormulaC5H8NO+
Molecular Weight98.12 g/mol
Exact Mass98.06
IUPAC Name2-hydroxyethenylidene(propan-2-ylidene)azanium
SMILESCC(C)=[N+]=C=CO
InChIInChI=1S/C5H7NO/c1-5(2)6-3-4-7/h4H,1-2H3/p+1
InChIKeyLXKSJZPTWGNKIR-UHFFFAOYSA-O
XLogP0.28
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.12
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethenylidene(propan-2-ylidene)azanium?
The IUPAC name of 2-hydroxyethenylidene(propan-2-ylidene)azanium (CID 176518543) is 2-hydroxyethenylidene(propan-2-ylidene)azanium.
What is the SMILES notation for 2-hydroxyethenylidene(propan-2-ylidene)azanium?
The canonical SMILES for 2-hydroxyethenylidene(propan-2-ylidene)azanium is CC(C)=[N+]=C=CO.
What is the InChIKey of 2-hydroxyethenylidene(propan-2-ylidene)azanium?
The InChIKey is LXKSJZPTWGNKIR-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7NO/c1-5(2)6-3-4-7/h4H,1-2H3/p+1.
What are the key properties of 2-hydroxyethenylidene(propan-2-ylidene)azanium?
2-hydroxyethenylidene(propan-2-ylidene)azanium has a molecular weight of 98.12 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethenylidene(propan-2-ylidene)azanium is sourced from PubChem (CID 176518543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).