1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C11H11NO — CID 117277012

IUPAC1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1O)CCCC2
InChIInChI=1S/C11H11NO/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h5-6,13H,1-4H2
InChIKeyPHKUYTUWEYHMLO-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.14
Rot. Bonds

About 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 117277012) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID117277012
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1O)CCCC2
InChIInChI=1S/C11H11NO/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h5-6,13H,1-4H2
InChIKeyPHKUYTUWEYHMLO-UHFFFAOYSA-N
XLogP2.14
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 117277012) is 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1O)CCCC2.
What is the InChIKey of 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is PHKUYTUWEYHMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h5-6,13H,1-4H2.
What are the key properties of 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 117277012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).