3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine

C13H16ClN — CID 83910690

IUPAC3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine
SMILESClc1cccc(C2(C3CCNC3)CC2)c1
InChIInChI=1S/C13H16ClN/c14-12-3-1-2-10(8-12)13(5-6-13)11-4-7-15-9-11/h1-3,8,11,15H,4-7,9H2
InChIKeySZHWTTIDXPLZIY-UHFFFAOYSA-N
MW221.73 g/mol
LogP2.98
Rot. Bonds2

About 3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine

3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine (PubChem CID 83910690) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine
PubChem CID83910690
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine
SMILESClc1cccc(C2(C3CCNC3)CC2)c1
InChIInChI=1S/C13H16ClN/c14-12-3-1-2-10(8-12)13(5-6-13)11-4-7-15-9-11/h1-3,8,11,15H,4-7,9H2
InChIKeySZHWTTIDXPLZIY-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(3-bromophenyl)cyclopropyl]pyrrolidine
CID 83913423
3-(1-phenylcyclopropyl)piperidine;hydrochloride
CID 162342001
4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one
CID 57475104
2-[1-(3-chlorophenyl)cyclobutyl]pyrrolidine
CID 83912096
3-(1-pyrrolidin-3-ylcyclopentyl)pyridine
CID 83910049
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
N-[1-(3-chlorophenyl)cyclopropyl]piperidine-4-carboxamide
CID 110462274
4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119553957
4-(1-phenylcyclopentyl)piperidine
CID 83911457
1-(3-chlorophenyl)-2-azabicyclo[3.1.1]heptane
CID 115068314
4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 119537652

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine?
The IUPAC name of 3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine (CID 83910690) is 3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine.
What is the SMILES notation for 3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine?
The canonical SMILES for 3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine is Clc1cccc(C2(C3CCNC3)CC2)c1.
What is the InChIKey of 3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine?
The InChIKey is SZHWTTIDXPLZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c14-12-3-1-2-10(8-12)13(5-6-13)11-4-7-15-9-11/h1-3,8,11,15H,4-7,9H2.
What are the key properties of 3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine?
3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine has a molecular weight of 221.73 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine is sourced from PubChem (CID 83910690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).