1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C13H17NO — CID 143873260

IUPAC1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCc1cc2c(c(C)c1C(N)=O)CCCC2
InChIInChI=1S/C13H17NO/c1-8-7-10-5-3-4-6-11(10)9(2)12(8)13(14)15/h7H,3-6H2,1-2H3,(H2,14,15)
InChIKeyFOJDKQHAWMKSIY-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.28
Rot. Bonds1

About 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide

1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 143873260) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID143873260
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCc1cc2c(c(C)c1C(N)=O)CCCC2
InChIInChI=1S/C13H17NO/c1-8-7-10-5-3-4-6-11(10)9(2)12(8)13(14)15/h7H,3-6H2,1-2H3,(H2,14,15)
InChIKeyFOJDKQHAWMKSIY-UHFFFAOYSA-N
XLogP2.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13126292
bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide
CID 155661871
ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene
CID 142513105
4-hydroxy-2,3,6-trimethylbenzamide
CID 95423610
2-fluoro-3-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 171787705
sodium 2-fluoro-3-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 171787704
2,3-dimethyl-5,6,7,8-tetrahydronaphthalene-1-sulfonic acid
CID 131861922
diethyl 3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene-2,4-dicarboxylate
CID 102151340
methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 12725569
1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide
CID 67476667
1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22993784
methyl 3-chloro-2-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylate
CID 171787690

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 143873260) is 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide is Cc1cc2c(c(C)c1C(N)=O)CCCC2.
What is the InChIKey of 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is FOJDKQHAWMKSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-8-7-10-5-3-4-6-11(10)9(2)12(8)13(14)15/h7H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 203.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 143873260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).