5,6,7,8-tetrahydronaphthalene-2-carboxamide

C11H13NO — CID 25958

IUPAC5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C11H13NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H2,12,13)
InChIKeyQMYMOARPAJVXDF-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.66
Rot. Bonds1

About 5,6,7,8-tetrahydronaphthalene-2-carboxamide

5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 25958) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID25958
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C11H13NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H2,12,13)
InChIKeyQMYMOARPAJVXDF-UHFFFAOYSA-N
XLogP1.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 25958) is 5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalene-2-carboxamide is NC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is QMYMOARPAJVXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H2,12,13).
What are the key properties of 5,6,7,8-tetrahydronaphthalene-2-carboxamide?
5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 175.23 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 25958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).