7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid

C12H11ClO2 — CID 105479978

IUPAC7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
SMILESO=C(O)C1CC12CCc1c(Cl)cccc12
InChIInChI=1S/C12H11ClO2/c13-10-3-1-2-8-7(10)4-5-12(8)6-9(12)11(14)15/h1-3,9H,4-6H2,(H,14,15)
InChIKeyAQQBCVWGRHIYED-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.63
Rot. Bonds1

About 7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid

7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid (PubChem CID 105479978) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is 7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid.

Molecular Properties

Compound Name7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
PubChem CID105479978
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
SMILESO=C(O)C1CC12CCc1c(Cl)cccc12
InChIInChI=1S/C12H11ClO2/c13-10-3-1-2-8-7(10)4-5-12(8)6-9(12)11(14)15/h1-3,9H,4-6H2,(H,14,15)
InChIKeyAQQBCVWGRHIYED-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105469834
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid
CID 115057144
8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105472206
(1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol
CID 83908135
1-amino-5-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911210
2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 130900676
1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid
CID 84682733
5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057136
5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid
CID 115057106
[2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
CID 120738147
ethyl 2-[(1S)-1-amino-4-chloro-2,3-dihydroinden-1-yl]acetate
CID 170356428

Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
The IUPAC name of 7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid (CID 105479978) is 7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid.
What is the SMILES notation for 7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
The canonical SMILES for 7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid is O=C(O)C1CC12CCc1c(Cl)cccc12.
What is the InChIKey of 7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
The InChIKey is AQQBCVWGRHIYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c13-10-3-1-2-8-7(10)4-5-12(8)6-9(12)11(14)15/h1-3,9H,4-6H2,(H,14,15).
What are the key properties of 7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid has a molecular weight of 222.67 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid is sourced from PubChem (CID 105479978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).