5-methoxyindole-1-carboxylic acid

C10H9NO3 — CID 68566461

IUPAC5-methoxyindole-1-carboxylic acid
SMILESCOc1ccc2c(ccn2C(=O)O)c1
InChIInChI=1S/C10H9NO3/c1-14-8-2-3-9-7(6-8)4-5-11(9)10(12)13/h2-6H,1H3,(H,12,13)
InChIKeyDSAAVPKECMIRQZ-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.18
Rot. Bonds1

About 5-methoxyindole-1-carboxylic acid

5-methoxyindole-1-carboxylic acid (PubChem CID 68566461) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-methoxyindole-1-carboxylic acid.

Molecular Properties

Compound Name5-methoxyindole-1-carboxylic acid
PubChem CID68566461
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name5-methoxyindole-1-carboxylic acid
SMILESCOc1ccc2c(ccn2C(=O)O)c1
InChIInChI=1S/C10H9NO3/c1-14-8-2-3-9-7(6-8)4-5-11(9)10(12)13/h2-6H,1H3,(H,12,13)
InChIKeyDSAAVPKECMIRQZ-UHFFFAOYSA-N
XLogP2.18
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-N-(4-methoxyphenyl)indole-1-carboxamide
CID 173299571
5-methoxy-1-(1-phenylethenyl)indole
CID 175370512
N-benzyl-5-methoxyindole-1-carboxamide
CID 11055060
(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 139083916
cyanomethyl 5-methoxyindole-1-carboxylate
CID 141286697
(2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one
CID 170000579
2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282497
(2R)-2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282498
5-methoxy-1-methylindole
CID 819864
4-(5-methoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 77074701
4-(5-methoxyindol-1-yl)but-2-enoic acid
CID 76940468
(E)-1-(5-(125I)iodoindol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 56680479

Frequently Asked Questions

What is the IUPAC name of 5-methoxyindole-1-carboxylic acid?
The IUPAC name of 5-methoxyindole-1-carboxylic acid (CID 68566461) is 5-methoxyindole-1-carboxylic acid.
What is the SMILES notation for 5-methoxyindole-1-carboxylic acid?
The canonical SMILES for 5-methoxyindole-1-carboxylic acid is COc1ccc2c(ccn2C(=O)O)c1.
What is the InChIKey of 5-methoxyindole-1-carboxylic acid?
The InChIKey is DSAAVPKECMIRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-8-2-3-9-7(6-8)4-5-11(9)10(12)13/h2-6H,1H3,(H,12,13).
What are the key properties of 5-methoxyindole-1-carboxylic acid?
5-methoxyindole-1-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyindole-1-carboxylic acid is sourced from PubChem (CID 68566461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).