5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine

C13H12ClN — CID 20826016

IUPAC5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine
SMILESClc1cc(-c2ccccc2)c2n1CCC2
InChIInChI=1S/C13H12ClN/c14-13-9-11(10-5-2-1-3-6-10)12-7-4-8-15(12)13/h1-3,5-6,9H,4,7-8H2
InChIKeyUGWDMEONIOXRQT-UHFFFAOYSA-N
MW217.70 g/mol
LogP3.75
Rot. Bonds1

About 5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine

5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine (PubChem CID 20826016) has the molecular formula C13H12ClN and a molecular weight of 217.70 g/mol. Its IUPAC name is 5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine.

Molecular Properties

Compound Name5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine
PubChem CID20826016
Molecular FormulaC13H12ClN
Molecular Weight217.70 g/mol
Exact Mass217.07
IUPAC Name5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine
SMILESClc1cc(-c2ccccc2)c2n1CCC2
InChIInChI=1S/C13H12ClN/c14-13-9-11(10-5-2-1-3-6-10)12-7-4-8-15(12)13/h1-3,5-6,9H,4,7-8H2
InChIKeyUGWDMEONIOXRQT-UHFFFAOYSA-N
XLogP3.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine?
The IUPAC name of 5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine (CID 20826016) is 5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine.
What is the SMILES notation for 5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine?
The canonical SMILES for 5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine is Clc1cc(-c2ccccc2)c2n1CCC2.
What is the InChIKey of 5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine?
The InChIKey is UGWDMEONIOXRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN/c14-13-9-11(10-5-2-1-3-6-10)12-7-4-8-15(12)13/h1-3,5-6,9H,4,7-8H2.
What are the key properties of 5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine?
5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine has a molecular weight of 217.70 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine is sourced from PubChem (CID 20826016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).