2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one

C15H24N2O3 — CID 155525341

IUPAC2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc([C@@H]2C[C@@H]3CC[C@H]2C3)n(O)c(=O)c1.NCCO
InChIInChI=1S/C13H17NO2.C2H7NO/c1-8-4-12(14(16)13(15)5-8)11-7-9-2-3-10(11)6-9;3-1-2-4/h4-5,9-11,16H,2-3,6-7H2,1H3;4H,1-3H2/t9-,10+,11-;/m1./s1
InChIKeyOIWZMFRAWARYEC-QJQMQQLTSA-N
MW280.37 g/mol
LogP1.24
Rot. Bonds2

About 2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one

2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one (PubChem CID 155525341) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one
PubChem CID155525341
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc([C@@H]2C[C@@H]3CC[C@H]2C3)n(O)c(=O)c1.NCCO
InChIInChI=1S/C13H17NO2.C2H7NO/c1-8-4-12(14(16)13(15)5-8)11-7-9-2-3-10(11)6-9;3-1-2-4/h4-5,9-11,16H,2-3,6-7H2,1H3;4H,1-3H2/t9-,10+,11-;/m1./s1
InChIKeyOIWZMFRAWARYEC-QJQMQQLTSA-N
XLogP1.24
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one (CID 155525341) is 2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one is Cc1cc([C@@H]2C[C@@H]3CC[C@H]2C3)n(O)c(=O)c1.NCCO.
What is the InChIKey of 2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is OIWZMFRAWARYEC-QJQMQQLTSA-N. The full InChI is InChI=1S/C13H17NO2.C2H7NO/c1-8-4-12(14(16)13(15)5-8)11-7-9-2-3-10(11)6-9;3-1-2-4/h4-5,9-11,16H,2-3,6-7H2,1H3;4H,1-3H2/t9-,10+,11-;/m1./s1.
What are the key properties of 2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one?
2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 280.37 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;6-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 155525341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).