5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid

C12H13ClN2O2 — CID 90449913

IUPAC5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CNc3ccc(Cl)cc32)C1
InChIInChI=1S/C12H13ClN2O2/c13-8-1-2-10-9(5-8)12(6-14-10)3-4-15(7-12)11(16)17/h1-2,5,14H,3-4,6-7H2,(H,16,17)
InChIKeySJCPOQMOCOMWCR-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.39
Rot. Bonds

About 5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid

5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid (PubChem CID 90449913) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid.

Molecular Properties

Compound Name5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid
PubChem CID90449913
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CNc3ccc(Cl)cc32)C1
InChIInChI=1S/C12H13ClN2O2/c13-8-1-2-10-9(5-8)12(6-14-10)3-4-15(7-12)11(16)17/h1-2,5,14H,3-4,6-7H2,(H,16,17)
InChIKeySJCPOQMOCOMWCR-UHFFFAOYSA-N
XLogP2.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 90464018
6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid
CID 90232150
(3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]
CID 70993859
1-(5-sulfanylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)ethanone
CID 90463958
5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid
CID 118195749
spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid
CID 118195760
(2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid
CID 141353184
1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
CID 91454224
benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 162726920
ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane]
CID 170250564
1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)-5-chlorospiro[1,2-dihydroindole-3,4'-piperidine]
CID 70959341

Frequently Asked Questions

What is the IUPAC name of 5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid?
The IUPAC name of 5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid (CID 90449913) is 5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid.
What is the SMILES notation for 5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid?
The canonical SMILES for 5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid is O=C(O)N1CCC2(CNc3ccc(Cl)cc32)C1.
What is the InChIKey of 5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid?
The InChIKey is SJCPOQMOCOMWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-8-1-2-10-9(5-8)12(6-14-10)3-4-15(7-12)11(16)17/h1-2,5,14H,3-4,6-7H2,(H,16,17).
What are the key properties of 5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid?
5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid has a molecular weight of 252.70 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid is sourced from PubChem (CID 90449913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).