2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid

C15H18O2 — CID 79429733

IUPAC2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(CC2CCC2)Cc2ccccc2C1
InChIInChI=1S/C15H18O2/c16-14(17)15(8-11-4-3-5-11)9-12-6-1-2-7-13(12)10-15/h1-2,6-7,11H,3-5,8-10H2,(H,16,17)
InChIKeyWZAXBKVJNYLJIC-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.05
Rot. Bonds3

About 2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid

2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 79429733) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid
PubChem CID79429733
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(CC2CCC2)Cc2ccccc2C1
InChIInChI=1S/C15H18O2/c16-14(17)15(8-11-4-3-5-11)9-12-6-1-2-7-13(12)10-15/h1-2,6-7,11H,3-5,8-10H2,(H,16,17)
InChIKeyWZAXBKVJNYLJIC-UHFFFAOYSA-N
XLogP3.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-cyclopentyl-2-hydroxypropyl)-1,3-dihydroindene-2-carboxylic acid
CID 103161260
2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 116525028
2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid
CID 65407568
3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 84720895
2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 79558584
1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 62740447
2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid
CID 114997823
2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419
2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65406805
2-(tert-butylsulfanylmethyl)-1,3-dihydroindene-2-carboxylic acid
CID 15814378
2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 65407586
2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115002582

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid (CID 79429733) is 2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(CC2CCC2)Cc2ccccc2C1.
What is the InChIKey of 2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is WZAXBKVJNYLJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c16-14(17)15(8-11-4-3-5-11)9-12-6-1-2-7-13(12)10-15/h1-2,6-7,11H,3-5,8-10H2,(H,16,17).
What are the key properties of 2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid?
2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 230.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 79429733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).