5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid

C15H17NO3 — CID 62299410

IUPAC5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid
SMILESCc1cc2ccccc2n1CC1CCC(C(=O)O)O1
InChIInChI=1S/C15H17NO3/c1-10-8-11-4-2-3-5-13(11)16(10)9-12-6-7-14(19-12)15(17)18/h2-5,8,12,14H,6-7,9H2,1H3,(H,17,18)
InChIKeyMPBKUXFKTJYKDH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.58
Rot. Bonds3

About 5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid

5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid (PubChem CID 62299410) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid
PubChem CID62299410
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid
SMILESCc1cc2ccccc2n1CC1CCC(C(=O)O)O1
InChIInChI=1S/C15H17NO3/c1-10-8-11-4-2-3-5-13(11)16(10)9-12-6-7-14(19-12)15(17)18/h2-5,8,12,14H,6-7,9H2,1H3,(H,17,18)
InChIKeyMPBKUXFKTJYKDH-UHFFFAOYSA-N
XLogP2.58
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid (CID 62299410) is 5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid is Cc1cc2ccccc2n1CC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid?
The InChIKey is MPBKUXFKTJYKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-8-11-4-2-3-5-13(11)16(10)9-12-6-7-14(19-12)15(17)18/h2-5,8,12,14H,6-7,9H2,1H3,(H,17,18).
What are the key properties of 5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid?
5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62299410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).