2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole

C8H11ClN2 — CID 130721860

IUPAC2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole
SMILESClc1[nH]ccc1[C@H]1CCCN1
InChIInChI=1S/C8H11ClN2/c9-8-6(3-5-11-8)7-2-1-4-10-7/h3,5,7,10-11H,1-2,4H2/t7-/m1/s1
InChIKeyZEVMKGVIJPVGER-SSDOTTSWSA-N
MW170.64 g/mol
LogP2.09
Rot. Bonds1

About 2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole

2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole (PubChem CID 130721860) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole
PubChem CID130721860
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole
SMILESClc1[nH]ccc1[C@H]1CCCN1
InChIInChI=1S/C8H11ClN2/c9-8-6(3-5-11-8)7-2-1-4-10-7/h3,5,7,10-11H,1-2,4H2/t7-/m1/s1
InChIKeyZEVMKGVIJPVGER-SSDOTTSWSA-N
XLogP2.09
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine
CID 130624671
(2R)-2-(2-fluoro-1H-pyrrol-3-yl)piperidine
CID 130657290
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
5-chloro-4-pyrrolidin-2-yl-1H-pyrazole
CID 84766127
2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol
CID 131086790
3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518689
2,3-dichloro-4-[(2R)-pyrrolidin-2-yl]aniline
CID 66519208
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492
3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
CID 55274966

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole?
The IUPAC name of 2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole (CID 130721860) is 2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole?
The canonical SMILES for 2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole is Clc1[nH]ccc1[C@H]1CCCN1.
What is the InChIKey of 2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole?
The InChIKey is ZEVMKGVIJPVGER-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11ClN2/c9-8-6(3-5-11-8)7-2-1-4-10-7/h3,5,7,10-11H,1-2,4H2/t7-/m1/s1.
What are the key properties of 2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole?
2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole has a molecular weight of 170.64 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole is sourced from PubChem (CID 130721860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).