2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid

C14H16O2 — CID 11413282

IUPAC2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C12Cc3ccccc3C1C2
InChIInChI=1S/C14H16O2/c1-13(2,12(15)16)14-7-9-5-3-4-6-10(9)11(14)8-14/h3-6,11H,7-8H2,1-2H3,(H,15,16)
InChIKeyNUUVGPKZLQEBIA-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.83
Rot. Bonds2

About 2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid

2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid (PubChem CID 11413282) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid
PubChem CID11413282
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C12Cc3ccccc3C1C2
InChIInChI=1S/C14H16O2/c1-13(2,12(15)16)14-7-9-5-3-4-6-10(9)11(14)8-14/h3-6,11H,7-8H2,1-2H3,(H,15,16)
InChIKeyNUUVGPKZLQEBIA-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid
CID 118703190
(1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylic acid
CID 155164088
(Z)-but-2-enedioic acid;9-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
CID 67946582
1-propyl-1,3-dihydroindene-2,2-dicarboxylic acid
CID 14381305
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-hydroxy-2-methylpropanoic acid
CID 104644694
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid
CID 83147914
but-2-enedioic acid;N,N-dimethyl-1-(8-thiatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-1-yl)methanamine
CID 3087406
2-(1-methyl-1,3-dihydroisoindol-2-yl)acetic acid
CID 126989453
2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 134297905
(1R,2R)-1-methyl-2-phenyl-1,3-dihydroinden-2-ol
CID 14449205
3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-dimethylpropanamide
CID 106274962
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15696258

Frequently Asked Questions

What is the IUPAC name of 2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid (CID 11413282) is 2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)C12Cc3ccccc3C1C2.
What is the InChIKey of 2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid?
The InChIKey is NUUVGPKZLQEBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-13(2,12(15)16)14-7-9-5-3-4-6-10(9)11(14)8-14/h3-6,11H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid?
2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid has a molecular weight of 216.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid is sourced from PubChem (CID 11413282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).