6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol

C11H15NO2 — CID 13177868

IUPAC6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol
SMILESNC1(CO)CCc2cc(O)ccc2C1
InChIInChI=1S/C11H15NO2/c12-11(7-13)4-3-8-5-10(14)2-1-9(8)6-11/h1-2,5,13-14H,3-4,6-7,12H2
InChIKeySXIQCXBBVCEHSI-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.57
Rot. Bonds1

About 6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol

6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol (PubChem CID 13177868) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol
PubChem CID13177868
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol
SMILESNC1(CO)CCc2cc(O)ccc2C1
InChIInChI=1S/C11H15NO2/c12-11(7-13)4-3-8-5-10(14)2-1-9(8)6-11/h1-2,5,13-14H,3-4,6-7,12H2
InChIKeySXIQCXBBVCEHSI-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol?
The IUPAC name of 6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol (CID 13177868) is 6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for 6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for 6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol is NC1(CO)CCc2cc(O)ccc2C1.
What is the InChIKey of 6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol?
The InChIKey is SXIQCXBBVCEHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-11(7-13)4-3-8-5-10(14)2-1-9(8)6-11/h1-2,5,13-14H,3-4,6-7,12H2.
What are the key properties of 6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol?
6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol has a molecular weight of 193.25 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 13177868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).