1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid

C14H15NO3 — CID 146347451

IUPAC1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid
SMILESCOc1cccc2cc(C(=O)O)n(CC3CC3)c12
InChIInChI=1S/C14H15NO3/c1-18-12-4-2-3-10-7-11(14(16)17)15(13(10)12)8-9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)
InChIKeyBQQGUMDJFNQWQT-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.76
Rot. Bonds4

About 1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid

1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid (PubChem CID 146347451) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid
PubChem CID146347451
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid
SMILESCOc1cccc2cc(C(=O)O)n(CC3CC3)c12
InChIInChI=1S/C14H15NO3/c1-18-12-4-2-3-10-7-11(14(16)17)15(13(10)12)8-9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)
InChIKeyBQQGUMDJFNQWQT-UHFFFAOYSA-N
XLogP2.76
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid
CID 105492323
(4-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine
CID 105488431
2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carboxylic acid
CID 86340186
[(2R)-1-[2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]propan-2-yl]carbamic acid
CID 170344180
7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82250962
1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid
CID 82248878
1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid
CID 151961405
2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazole-5-carboxylic acid
CID 86340154
2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-5-ethenyl-1,6-dimethylbenzimidazole;ethane
CID 170604107
[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone
CID 121479156
7-ethyl-1-methylindole-2-carboxylic acid
CID 131582394
N-tert-butyl-7-methoxy-1-methylindole-2-carboxamide
CID 110855334

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid (CID 146347451) is 1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid is COc1cccc2cc(C(=O)O)n(CC3CC3)c12.
What is the InChIKey of 1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid?
The InChIKey is BQQGUMDJFNQWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-12-4-2-3-10-7-11(14(16)17)15(13(10)12)8-9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H,16,17).
What are the key properties of 1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid?
1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid is sourced from PubChem (CID 146347451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).