cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate

C14H15NO3 — CID 54453164

IUPACcyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccc(O)cc2c1C(=O)OCC1CC1
InChIInChI=1S/C14H15NO3/c1-8-13(14(17)18-7-9-2-3-9)11-6-10(16)4-5-12(11)15-8/h4-6,9,15-16H,2-3,7H2,1H3
InChIKeyWWISPVQOZMAGGM-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.75
Rot. Bonds3

About cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate

cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate (PubChem CID 54453164) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
PubChem CID54453164
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namecyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccc(O)cc2c1C(=O)OCC1CC1
InChIInChI=1S/C14H15NO3/c1-8-13(14(17)18-7-9-2-3-9)11-6-10(16)4-5-12(11)15-8/h4-6,9,15-16H,2-3,7H2,1H3
InChIKeyWWISPVQOZMAGGM-UHFFFAOYSA-N
XLogP2.75
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 54440936
2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835915
ethyl 2-methyl-5-(oxane-4-carbonyloxy)-1H-indole-3-carboxylate
CID 71892020
ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 12537598
cyclopropylmethyl 2-amino-5-hydroxybenzoate
CID 61405748
(5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 110833669
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
benzyl 2-methyl-5-(pentafluoro-λ6-sulfanyl)-1H-indole-3-carboxylate
CID 132566613
ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
CID 68865271
methyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 165344692
cyclopropylmethyl 2-amino-6-methylbenzoate
CID 61310985
cyclopropylmethyl 5-amino-1H-indole-2-carboxylate
CID 107363338

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The IUPAC name of cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate (CID 54453164) is cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate is Cc1[nH]c2ccc(O)cc2c1C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The InChIKey is WWISPVQOZMAGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8-13(14(17)18-7-9-2-3-9)11-6-10(16)4-5-12(11)15-8/h4-6,9,15-16H,2-3,7H2,1H3.
What are the key properties of cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate?
cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 54453164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).