5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid

C11H9ClO2 — CID 126822118

IUPAC5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
SMILESO=C(O)C1C2Cc3c(Cl)cccc3C21
InChIInChI=1S/C11H9ClO2/c12-8-3-1-2-5-6(8)4-7-9(5)10(7)11(13)14/h1-3,7,9-10H,4H2,(H,13,14)
InChIKeyJZLKUPNAUQTSJI-UHFFFAOYSA-N
MW208.64 g/mol
LogP2.31
Rot. Bonds1

About 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid

5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid (PubChem CID 126822118) has the molecular formula C11H9ClO2 and a molecular weight of 208.64 g/mol. Its IUPAC name is 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
PubChem CID126822118
Molecular FormulaC11H9ClO2
Molecular Weight208.64 g/mol
Exact Mass208.03
IUPAC Name5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
SMILESO=C(O)C1C2Cc3c(Cl)cccc3C21
InChIInChI=1S/C11H9ClO2/c12-8-3-1-2-5-6(8)4-7-9(5)10(7)11(13)14/h1-3,7,9-10H,4H2,(H,13,14)
InChIKeyJZLKUPNAUQTSJI-UHFFFAOYSA-N
XLogP2.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Clidanac
CID 120108
6-chloro-5-(cyclopentylmethyl)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 129289
rac-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 11206387
Butyric acid, 4-(3-chloro-4-cyclohexylphenyl)-
CID 36241
(1S)-6-Chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid
CID 120109
Benzenebutanoic acid, 3-chloro-4-(1-methylethyl)-
CID 208672
6-chloro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 12318481
5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 12397734
1H,1aH,6H,6aH-cyclopropa[a]indene-1-carboxylic acid
CID 249470
7-Chloro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 12397735
rac-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid
CID 20666511
Chlorfluren
CID 20055552

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid?
The IUPAC name of 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid (CID 126822118) is 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid.
What is the SMILES notation for 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid?
The canonical SMILES for 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid is O=C(O)C1C2Cc3c(Cl)cccc3C21.
What is the InChIKey of 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid?
The InChIKey is JZLKUPNAUQTSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2/c12-8-3-1-2-5-6(8)4-7-9(5)10(7)11(13)14/h1-3,7,9-10H,4H2,(H,13,14).
What are the key properties of 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid?
5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid has a molecular weight of 208.64 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid is sourced from PubChem (CID 126822118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).