(3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]

C12H15ClN2 — CID 70993859

IUPAC(3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]
SMILESCN1CC[C@@]2(CNc3ccc(Cl)cc32)C1
InChIInChI=1S/C12H15ClN2/c1-15-5-4-12(8-15)7-14-11-3-2-9(13)6-10(11)12/h2-3,6,14H,4-5,7-8H2,1H3/t12-/m1/s1
InChIKeyGLFIJRADPBLAFH-GFCCVEGCSA-N
MW222.72 g/mol
LogP2.34
Rot. Bonds

About (3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]

(3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine] (PubChem CID 70993859) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine].

Molecular Properties

Compound Name(3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]
PubChem CID70993859
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name(3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]
SMILESCN1CC[C@@]2(CNc3ccc(Cl)cc32)C1
InChIInChI=1S/C12H15ClN2/c1-15-5-4-12(8-15)7-14-11-3-2-9(13)6-10(11)12/h2-3,6,14H,4-5,7-8H2,1H3/t12-/m1/s1
InChIKeyGLFIJRADPBLAFH-GFCCVEGCSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]?
The IUPAC name of (3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine] (CID 70993859) is (3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine].
What is the SMILES notation for (3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]?
The canonical SMILES for (3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine] is CN1CC[C@@]2(CNc3ccc(Cl)cc32)C1.
What is the InChIKey of (3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]?
The InChIKey is GLFIJRADPBLAFH-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-15-5-4-12(8-15)7-14-11-3-2-9(13)6-10(11)12/h2-3,6,14H,4-5,7-8H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]?
(3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine] has a molecular weight of 222.72 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine] is sourced from PubChem (CID 70993859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).