6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C12H13NO — CID 13488729

IUPAC6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC(CO)C2
InChIInChI=1S/C12H13NO/c13-7-9-1-3-12-6-10(8-14)2-4-11(12)5-9/h1,3,5,10,14H,2,4,6,8H2
InChIKeyHYOCUTZBFHXLKW-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.66
Rot. Bonds1

About 6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 13488729) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID13488729
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC(CO)C2
InChIInChI=1S/C12H13NO/c13-7-9-1-3-12-6-10(8-14)2-4-11(12)5-9/h1,3,5,10,14H,2,4,6,8H2
InChIKeyHYOCUTZBFHXLKW-UHFFFAOYSA-N
XLogP1.66
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 13488729) is 6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCC(CO)C2.
What is the InChIKey of 6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is HYOCUTZBFHXLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c13-7-9-1-3-12-6-10(8-14)2-4-11(12)5-9/h1,3,5,10,14H,2,4,6,8H2.
What are the key properties of 6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 187.24 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 13488729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).