6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol

C7H13NO3 — CID 73115241

IUPAC6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESNCC1C=CC(O)C(CO)O1
InChIInChI=1S/C7H13NO3/c8-3-5-1-2-6(10)7(4-9)11-5/h1-2,5-7,9-10H,3-4,8H2
InChIKeyJJTMLIZELLQJQH-UHFFFAOYSA-N
MW159.18 g/mol
LogP-1.38
Rot. Bonds2

About 6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol

6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 73115241) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
PubChem CID73115241
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESNCC1C=CC(O)C(CO)O1
InChIInChI=1S/C7H13NO3/c8-3-5-1-2-6(10)7(4-9)11-5/h1-2,5-7,9-10H,3-4,8H2
InChIKeyJJTMLIZELLQJQH-UHFFFAOYSA-N
XLogP-1.38
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol (CID 73115241) is 6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol is NCC1C=CC(O)C(CO)O1.
What is the InChIKey of 6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is JJTMLIZELLQJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c8-3-5-1-2-6(10)7(4-9)11-5/h1-2,5-7,9-10H,3-4,8H2.
What are the key properties of 6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol?
6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 159.18 g/mol, XLogP of -1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 73115241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).