2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile

C18H15N3O — CID 646706

IUPAC2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
SMILESN#Cc1c(N)c(C#N)c(-c2ccc(O)cc2)c2c1CCCC2
InChIInChI=1S/C18H15N3O/c19-9-15-13-3-1-2-4-14(13)17(16(10-20)18(15)21)11-5-7-12(22)8-6-11/h5-8,22H,1-4,21H2
InChIKeyQSNQOVVRCSWLNX-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.26
Rot. Bonds1

About 2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile

2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile (PubChem CID 646706) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
PubChem CID646706
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
SMILESN#Cc1c(N)c(C#N)c(-c2ccc(O)cc2)c2c1CCCC2
InChIInChI=1S/C18H15N3O/c19-9-15-13-3-1-2-4-14(13)17(16(10-20)18(15)21)11-5-7-12(22)8-6-11/h5-8,22H,1-4,21H2
InChIKeyQSNQOVVRCSWLNX-UHFFFAOYSA-N
XLogP3.26
TPSA93.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile (CID 646706) is 2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile is N#Cc1c(N)c(C#N)c(-c2ccc(O)cc2)c2c1CCCC2.
What is the InChIKey of 2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The InChIKey is QSNQOVVRCSWLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c19-9-15-13-3-1-2-4-14(13)17(16(10-20)18(15)21)11-5-7-12(22)8-6-11/h5-8,22H,1-4,21H2.
What are the key properties of 2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile is sourced from PubChem (CID 646706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).