methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate

C15H17NO3 — CID 135263211

IUPACmethyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc3[nH]cc(CCO)c3c2)CC1
InChIInChI=1S/C15H17NO3/c1-19-14(18)15(5-6-15)11-2-3-13-12(8-11)10(4-7-17)9-16-13/h2-3,8-9,16-17H,4-7H2,1H3
InChIKeyJADYIITZXPTAAO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.91
Rot. Bonds4

About methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate

methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate (PubChem CID 135263211) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate
PubChem CID135263211
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc3[nH]cc(CCO)c3c2)CC1
InChIInChI=1S/C15H17NO3/c1-19-14(18)15(5-6-15)11-2-3-13-12(8-11)10(4-7-17)9-16-13/h2-3,8-9,16-17H,4-7H2,1H3
InChIKeyJADYIITZXPTAAO-UHFFFAOYSA-N
XLogP1.91
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489
methyl 1-(3H-benzimidazol-5-yl)cyclopropane-1-carboxylate
CID 116964016
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 12030137
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 71692234
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
methyl 1-(3-bromo-4-propan-2-yloxyphenyl)cyclopropane-1-carboxylate
CID 105426599
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
1-(3-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117396793

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate (CID 135263211) is methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate is COC(=O)C1(c2ccc3[nH]cc(CCO)c3c2)CC1.
What is the InChIKey of methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate?
The InChIKey is JADYIITZXPTAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-19-14(18)15(5-6-15)11-2-3-13-12(8-11)10(4-7-17)9-16-13/h2-3,8-9,16-17H,4-7H2,1H3.
What are the key properties of methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate?
methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 135263211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).