1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid

C16H17NO2 — CID 82088702

IUPAC1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)ccc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H17NO2/c1-17-14(8-9-15(17)16(18)19)13-7-6-11-4-2-3-5-12(11)10-13/h6-10H,2-5H2,1H3,(H,18,19)
InChIKeyQBKRNWSLENTJQI-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.27
Rot. Bonds2

About 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid

1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid (PubChem CID 82088702) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid
PubChem CID82088702
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)ccc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H17NO2/c1-17-14(8-9-15(17)16(18)19)13-7-6-11-4-2-3-5-12(11)10-13/h6-10H,2-5H2,1H3,(H,18,19)
InChIKeyQBKRNWSLENTJQI-UHFFFAOYSA-N
XLogP3.27
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid
CID 43671726
3-amino-1-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-one
CID 82466908
6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid
CID 82100024
6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82100029
1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid
CID 83816824
4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid
CID 116858236
1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 43671677
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole
CID 116869099
4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336572
5-(2,3-dihydro-1H-inden-5-yl)-3-methylimidazole-4-carboxylic acid
CID 83672848
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole
CID 91528973
5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid
CID 82081323

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid (CID 82088702) is 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid is Cn1c(C(=O)O)ccc1-c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid?
The InChIKey is QBKRNWSLENTJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17-14(8-9-15(17)16(18)19)13-7-6-11-4-2-3-5-12(11)10-13/h6-10H,2-5H2,1H3,(H,18,19).
What are the key properties of 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid?
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 82088702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).