6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide

C11H14N2O — CID 13439066

IUPAC6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide
SMILES[H]/N=C(\N)C1CCc2cc(O)ccc2C1
InChIInChI=1S/C11H14N2O/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9/h3-4,6,9,14H,1-2,5H2,(H3,12,13)
InChIKeyUIOUVOKRQUZRAL-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.43
Rot. Bonds1

About 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide

6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide (PubChem CID 13439066) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide.

Molecular Properties

Compound Name6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide
PubChem CID13439066
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide
SMILES[H]/N=C(\N)C1CCc2cc(O)ccc2C1
InChIInChI=1S/C11H14N2O/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9/h3-4,6,9,14H,1-2,5H2,(H3,12,13)
InChIKeyUIOUVOKRQUZRAL-UHFFFAOYSA-N
XLogP1.43
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide?
The IUPAC name of 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide (CID 13439066) is 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide.
What is the SMILES notation for 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide?
The canonical SMILES for 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide is [H]/N=C(\N)C1CCc2cc(O)ccc2C1.
What is the InChIKey of 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide?
The InChIKey is UIOUVOKRQUZRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9/h3-4,6,9,14H,1-2,5H2,(H3,12,13).
What are the key properties of 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide?
6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide has a molecular weight of 190.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide is sourced from PubChem (CID 13439066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).