7-chloro-1-pyrrolidin-3-ylindole

C12H13ClN2 — CID 84751020

IUPAC7-chloro-1-pyrrolidin-3-ylindole
SMILESClc1cccc2ccn(C3CCNC3)c12
InChIInChI=1S/C12H13ClN2/c13-11-3-1-2-9-5-7-15(12(9)11)10-4-6-14-8-10/h1-3,5,7,10,14H,4,6,8H2
InChIKeyZSMRLSYOKPQCKH-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.83
Rot. Bonds1

About 7-chloro-1-pyrrolidin-3-ylindole

7-chloro-1-pyrrolidin-3-ylindole (PubChem CID 84751020) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 7-chloro-1-pyrrolidin-3-ylindole.

Molecular Properties

Compound Name7-chloro-1-pyrrolidin-3-ylindole
PubChem CID84751020
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name7-chloro-1-pyrrolidin-3-ylindole
SMILESClc1cccc2ccn(C3CCNC3)c12
InChIInChI=1S/C12H13ClN2/c13-11-3-1-2-9-5-7-15(12(9)11)10-4-6-14-8-10/h1-3,5,7,10,14H,4,6,8H2
InChIKeyZSMRLSYOKPQCKH-UHFFFAOYSA-N
XLogP2.83
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-1-(oxan-4-yl)indole
CID 103475403
7-chloro-1-methyl-2-pyrrolidin-3-ylindole
CID 84627998
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CID 168939735
8-fluoro-1-pyrrolidin-3-ylquinolin-2-one
CID 54248728
1-(3-methylpiperidin-4-yl)indole
CID 69270598
8-chloro-2-pyrrolidin-3-ylimidazo[1,2-a]pyridine
CID 105478712
5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262113
5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
CID 144977778
[1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
CID 154762709
3-[(2,6-dichlorophenyl)methoxy]pyrrolidine
CID 62328259
1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117254778
3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one
CID 11209424

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-pyrrolidin-3-ylindole?
The IUPAC name of 7-chloro-1-pyrrolidin-3-ylindole (CID 84751020) is 7-chloro-1-pyrrolidin-3-ylindole.
What is the SMILES notation for 7-chloro-1-pyrrolidin-3-ylindole?
The canonical SMILES for 7-chloro-1-pyrrolidin-3-ylindole is Clc1cccc2ccn(C3CCNC3)c12.
What is the InChIKey of 7-chloro-1-pyrrolidin-3-ylindole?
The InChIKey is ZSMRLSYOKPQCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c13-11-3-1-2-9-5-7-15(12(9)11)10-4-6-14-8-10/h1-3,5,7,10,14H,4,6,8H2.
What are the key properties of 7-chloro-1-pyrrolidin-3-ylindole?
7-chloro-1-pyrrolidin-3-ylindole has a molecular weight of 220.70 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-pyrrolidin-3-ylindole is sourced from PubChem (CID 84751020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).