methyl 1-(oxolan-2-yl)indole-3-carboxylate

C14H15NO3 — CID 122385558

IUPACmethyl 1-(oxolan-2-yl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C2CCCO2)c2ccccc12
InChIInChI=1S/C14H15NO3/c1-17-14(16)11-9-15(13-7-4-8-18-13)12-6-3-2-5-10(11)12/h2-3,5-6,9,13H,4,7-8H2,1H3
InChIKeyIGDXNTRVXBRGQN-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.74
Rot. Bonds2

About methyl 1-(oxolan-2-yl)indole-3-carboxylate

methyl 1-(oxolan-2-yl)indole-3-carboxylate (PubChem CID 122385558) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 1-(oxolan-2-yl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(oxolan-2-yl)indole-3-carboxylate
PubChem CID122385558
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 1-(oxolan-2-yl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C2CCCO2)c2ccccc12
InChIInChI=1S/C14H15NO3/c1-17-14(16)11-9-15(13-7-4-8-18-13)12-6-3-2-5-10(11)12/h2-3,5-6,9,13H,4,7-8H2,1H3
InChIKeyIGDXNTRVXBRGQN-UHFFFAOYSA-N
XLogP2.74
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(oxolan-2-yl)indole-3-carboxylate?
The IUPAC name of methyl 1-(oxolan-2-yl)indole-3-carboxylate (CID 122385558) is methyl 1-(oxolan-2-yl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(oxolan-2-yl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(oxolan-2-yl)indole-3-carboxylate is COC(=O)c1cn(C2CCCO2)c2ccccc12.
What is the InChIKey of methyl 1-(oxolan-2-yl)indole-3-carboxylate?
The InChIKey is IGDXNTRVXBRGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-17-14(16)11-9-15(13-7-4-8-18-13)12-6-3-2-5-10(11)12/h2-3,5-6,9,13H,4,7-8H2,1H3.
What are the key properties of methyl 1-(oxolan-2-yl)indole-3-carboxylate?
methyl 1-(oxolan-2-yl)indole-3-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(oxolan-2-yl)indole-3-carboxylate is sourced from PubChem (CID 122385558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).