phenyl-(propylideneamino)methanol

C10H13NO — CID 57287082

IUPACphenyl-(propylideneamino)methanol
SMILESCCC=NC(O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h3-8,10,12H,2H2,1H3
InChIKeyIUWGPVYILUEVAY-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.16
Rot. Bonds3

About phenyl-(propylideneamino)methanol

phenyl-(propylideneamino)methanol (PubChem CID 57287082) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is phenyl-(propylideneamino)methanol.

Molecular Properties

Compound Namephenyl-(propylideneamino)methanol
PubChem CID57287082
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Namephenyl-(propylideneamino)methanol
SMILESCCC=NC(O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h3-8,10,12H,2H2,1H3
InChIKeyIUWGPVYILUEVAY-UHFFFAOYSA-N
XLogP2.16
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl-(propylideneamino)methanol?
The IUPAC name of phenyl-(propylideneamino)methanol (CID 57287082) is phenyl-(propylideneamino)methanol.
What is the SMILES notation for phenyl-(propylideneamino)methanol?
The canonical SMILES for phenyl-(propylideneamino)methanol is CCC=NC(O)c1ccccc1.
What is the InChIKey of phenyl-(propylideneamino)methanol?
The InChIKey is IUWGPVYILUEVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h3-8,10,12H,2H2,1H3.
What are the key properties of phenyl-(propylideneamino)methanol?
phenyl-(propylideneamino)methanol has a molecular weight of 163.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(propylideneamino)methanol is sourced from PubChem (CID 57287082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).