3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid

C15H19NO3 — CID 62272119

IUPAC3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid
SMILESCC1Cc2ccccc2N1CC1(C(=O)O)CCOC1
InChIInChI=1S/C15H19NO3/c1-11-8-12-4-2-3-5-13(12)16(11)9-15(14(17)18)6-7-19-10-15/h2-5,11H,6-10H2,1H3,(H,17,18)
InChIKeyQSZWBECWCLFVQW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.93
Rot. Bonds3

About 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid

3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid (PubChem CID 62272119) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid
PubChem CID62272119
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid
SMILESCC1Cc2ccccc2N1CC1(C(=O)O)CCOC1
InChIInChI=1S/C15H19NO3/c1-11-8-12-4-2-3-5-13(12)16(11)9-15(14(17)18)6-7-19-10-15/h2-5,11H,6-10H2,1H3,(H,17,18)
InChIKeyQSZWBECWCLFVQW-UHFFFAOYSA-N
XLogP1.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyl-2,3-dihydroindol-1-yl)methyl]cyclopropan-1-amine
CID 65458877
1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43437065
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62272327
3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62271543
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole
CID 65009516
(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 115293542
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)but-2-enoic acid
CID 77006272
3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272842
1-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]piperidin-3-ol
CID 71689234

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid (CID 62272119) is 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid is CC1Cc2ccccc2N1CC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid?
The InChIKey is QSZWBECWCLFVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-8-12-4-2-3-5-13(12)16(11)9-15(14(17)18)6-7-19-10-15/h2-5,11H,6-10H2,1H3,(H,17,18).
What are the key properties of 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid?
3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 62272119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).