1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid

C15H15NO2 — CID 151961405

IUPAC1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid
SMILESC=Cc1ccc2cc(C(=O)O)n(CC3CC3)c2c1
InChIInChI=1S/C15H15NO2/c1-2-10-5-6-12-8-14(15(17)18)16(13(12)7-10)9-11-3-4-11/h2,5-8,11H,1,3-4,9H2,(H,17,18)
InChIKeyTYSVPUAWTJFHIK-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.39
Rot. Bonds4

About 1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid

1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid (PubChem CID 151961405) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid
PubChem CID151961405
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid
SMILESC=Cc1ccc2cc(C(=O)O)n(CC3CC3)c2c1
InChIInChI=1S/C15H15NO2/c1-2-10-5-6-12-8-14(15(17)18)16(13(12)7-10)9-11-3-4-11/h2,5-8,11H,1,3-4,9H2,(H,17,18)
InChIKeyTYSVPUAWTJFHIK-UHFFFAOYSA-N
XLogP3.39
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2,3-diamino-3-[1-(cyclopropylmethyl)-6-ethenylindol-2-yl]-7-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-10-carboxylic acid
CID 175017584
1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid
CID 105492323
1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid
CID 146347451
1-(cyclopropylmethyl)-2-ethenylindole
CID 138503170
1-[(5,5-dimethyloxolan-2-yl)methyl]indole-2-carboxylic acid
CID 116522323
2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one
CID 172876193
2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid
CID 115107125
1-benzyl-5-(trifluoromethylsulfonylamino)indole-2-carboxylic acid;1-(cyclohexylmethyl)-5-(trifluoromethylsulfonylamino)indole-2-carboxylic acid
CID 162196535
1-(cyclopropylmethyl)-7-oxo-5,6-dihydro-4H-indole-2-carboxylic acid
CID 162425690
1-(cyclopropylmethyl)-N-[(3R)-3-hydroxypentyl]indole-2-carboxamide
CID 124851434
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid
CID 22310949

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid (CID 151961405) is 1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid is C=Cc1ccc2cc(C(=O)O)n(CC3CC3)c2c1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid?
The InChIKey is TYSVPUAWTJFHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-10-5-6-12-8-14(15(17)18)16(13(12)7-10)9-11-3-4-11/h2,5-8,11H,1,3-4,9H2,(H,17,18).
What are the key properties of 1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid?
1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid is sourced from PubChem (CID 151961405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).