8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

C11H13NO2 — CID 175983212

IUPAC8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
SMILESCc1cccc2c1CN(C(=O)O)CC2
InChIInChI=1S/C11H13NO2/c1-8-3-2-4-9-5-6-12(11(13)14)7-10(8)9/h2-4H,5-7H2,1H3,(H,13,14)
InChIKeyCBNDUHCHQYPDOV-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.03
Rot. Bonds

About 8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (PubChem CID 175983212) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
PubChem CID175983212
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
SMILESCc1cccc2c1CN(C(=O)O)CC2
InChIInChI=1S/C11H13NO2/c1-8-3-2-4-9-5-6-12(11(13)14)7-10(8)9/h2-4H,5-7H2,1H3,(H,13,14)
InChIKeyCBNDUHCHQYPDOV-UHFFFAOYSA-N
XLogP2.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid?
The IUPAC name of 8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (CID 175983212) is 8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid.
What is the SMILES notation for 8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid?
The canonical SMILES for 8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid is Cc1cccc2c1CN(C(=O)O)CC2.
What is the InChIKey of 8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid?
The InChIKey is CBNDUHCHQYPDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-3-2-4-9-5-6-12(11(13)14)7-10(8)9/h2-4H,5-7H2,1H3,(H,13,14).
What are the key properties of 8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid?
8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid is sourced from PubChem (CID 175983212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).