1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

C12H18N2O2 — CID 53213213

IUPAC1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESCCCN1CCc2c(cc(C(=O)O)n2C)C1
InChIInChI=1S/C12H18N2O2/c1-3-5-14-6-4-10-9(8-14)7-11(12(15)16)13(10)2/h7H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyPSLKFOHSEHYXHC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.49
Rot. Bonds3

About 1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 53213213) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
PubChem CID53213213
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESCCCN1CCc2c(cc(C(=O)O)n2C)C1
InChIInChI=1S/C12H18N2O2/c1-3-5-14-6-4-10-9(8-14)7-11(12(15)16)13(10)2/h7H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyPSLKFOHSEHYXHC-UHFFFAOYSA-N
XLogP1.49
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-Benzyl-1H-pyrrole-2-carboxylic acid
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4,5,6,7-Tetrahydro-1H-indole-2-carboxylic acid
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1-benzyl-1H-indole-2-carboxylic acid
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6-(2-(Pyrrolidin-1-yl)ethyl)nicotinic acid
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1-methyl-4-phenyl-1H-pyrrole-2-carboxylic acid
CID 13331296
1,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 7131914
ethyl (7R)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizine-3-carboxylate
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CID 6484316

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (CID 53213213) is 1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is CCCN1CCc2c(cc(C(=O)O)n2C)C1.
What is the InChIKey of 1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is PSLKFOHSEHYXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-5-14-6-4-10-9(8-14)7-11(12(15)16)13(10)2/h7H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 53213213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).