(2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine

C13H16ClN — CID 66519431

IUPAC(2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
SMILESClc1cc([C@@H]2CCCN2)cc2c1CCC2
InChIInChI=1S/C13H16ClN/c14-12-8-10(13-5-2-6-15-13)7-9-3-1-4-11(9)12/h7-8,13,15H,1-6H2/t13-/m0/s1
InChIKeyNCIJVBOWEFOUFO-ZDUSSCGKSA-N
MW221.73 g/mol
LogP3.25
Rot. Bonds1

About (2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine

(2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine (PubChem CID 66519431) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is (2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
PubChem CID66519431
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name(2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
SMILESClc1cc([C@@H]2CCCN2)cc2c1CCC2
InChIInChI=1S/C13H16ClN/c14-12-8-10(13-5-2-6-15-13)7-9-3-1-4-11(9)12/h7-8,13,15H,1-6H2/t13-/m0/s1
InChIKeyNCIJVBOWEFOUFO-ZDUSSCGKSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 84711652
2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 130664608
(2R)-2-(6-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 66519430
(2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine
CID 66519043
(2R)-2-(2,3-dihydro-1H-cyclopenta[a]naphthalen-8-yl)pyrrolidine
CID 66519507
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
2-chloro-6-methyl-4-piperidin-2-ylphenol
CID 84690212
2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
CID 117418762
2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117356620
2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
CID 66519193
(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine
CID 66518568
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine?
The IUPAC name of (2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine (CID 66519431) is (2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine is Clc1cc([C@@H]2CCCN2)cc2c1CCC2.
What is the InChIKey of (2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine?
The InChIKey is NCIJVBOWEFOUFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16ClN/c14-12-8-10(13-5-2-6-15-13)7-9-3-1-4-11(9)12/h7-8,13,15H,1-6H2/t13-/m0/s1.
What are the key properties of (2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine?
(2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine has a molecular weight of 221.73 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine is sourced from PubChem (CID 66519431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).