2-[amino(phenyl)methylidene]propane-1,3-diol

C10H13NO2 — CID 67517507

IUPAC2-[amino(phenyl)methylidene]propane-1,3-diol
SMILESNC(=C(CO)CO)c1ccccc1
InChIInChI=1S/C10H13NO2/c11-10(9(6-12)7-13)8-4-2-1-3-5-8/h1-5,12-13H,6-7,11H2
InChIKeyJMXOBCBZWTVZTF-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.34
Rot. Bonds3

About 2-[amino(phenyl)methylidene]propane-1,3-diol

2-[amino(phenyl)methylidene]propane-1,3-diol (PubChem CID 67517507) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[amino(phenyl)methylidene]propane-1,3-diol.

Molecular Properties

Compound Name2-[amino(phenyl)methylidene]propane-1,3-diol
PubChem CID67517507
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-[amino(phenyl)methylidene]propane-1,3-diol
SMILESNC(=C(CO)CO)c1ccccc1
InChIInChI=1S/C10H13NO2/c11-10(9(6-12)7-13)8-4-2-1-3-5-8/h1-5,12-13H,6-7,11H2
InChIKeyJMXOBCBZWTVZTF-UHFFFAOYSA-N
XLogP0.34
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(phenyl)methylidene]propane-1,3-diol?
The IUPAC name of 2-[amino(phenyl)methylidene]propane-1,3-diol (CID 67517507) is 2-[amino(phenyl)methylidene]propane-1,3-diol.
What is the SMILES notation for 2-[amino(phenyl)methylidene]propane-1,3-diol?
The canonical SMILES for 2-[amino(phenyl)methylidene]propane-1,3-diol is NC(=C(CO)CO)c1ccccc1.
What is the InChIKey of 2-[amino(phenyl)methylidene]propane-1,3-diol?
The InChIKey is JMXOBCBZWTVZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-10(9(6-12)7-13)8-4-2-1-3-5-8/h1-5,12-13H,6-7,11H2.
What are the key properties of 2-[amino(phenyl)methylidene]propane-1,3-diol?
2-[amino(phenyl)methylidene]propane-1,3-diol has a molecular weight of 179.22 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(phenyl)methylidene]propane-1,3-diol is sourced from PubChem (CID 67517507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).