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

C11H11NO — CID 57278272

IUPAC8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(O)CCC2
InChIInChI=1S/C11H11NO/c12-7-8-4-5-9-2-1-3-11(13)10(9)6-8/h4-6,11,13H,1-3H2
InChIKeyDJMOULGYUXBTFK-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.93
Rot. Bonds

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

8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 57278272) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID57278272
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(O)CCC2
InChIInChI=1S/C11H11NO/c12-7-8-4-5-9-2-1-3-11(13)10(9)6-8/h4-6,11,13H,1-3H2
InChIKeyDJMOULGYUXBTFK-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131140735
7-amino-1,2,3,4-tetrahydronaphthalen-1-ol
CID 15840809
7-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 89110450
7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 11008778
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
(1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114091372
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-9-carbonitrile
CID 86654076
7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 175738988
(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014448
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 22391802
5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 131174975
7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62738038

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 57278272) is 8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)C(O)CCC2.
What is the InChIKey of 8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is DJMOULGYUXBTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c12-7-8-4-5-9-2-1-3-11(13)10(9)6-8/h4-6,11,13H,1-3H2.
What are the key properties of 8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 57278272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).