1-(1-benzylcyclopentyl)pyrrole

C16H19N — CID 57128250

IUPAC1-(1-benzylcyclopentyl)pyrrole
SMILESc1ccc(CC2(n3cccc3)CCCC2)cc1
InChIInChI=1S/C16H19N/c1-2-8-15(9-3-1)14-16(10-4-5-11-16)17-12-6-7-13-17/h1-3,6-9,12-13H,4-5,10-11,14H2
InChIKeyLRKHMGBUUWBRPY-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.00
Rot. Bonds3

About 1-(1-benzylcyclopentyl)pyrrole

1-(1-benzylcyclopentyl)pyrrole (PubChem CID 57128250) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(1-benzylcyclopentyl)pyrrole.

Molecular Properties

Compound Name1-(1-benzylcyclopentyl)pyrrole
PubChem CID57128250
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name1-(1-benzylcyclopentyl)pyrrole
SMILESc1ccc(CC2(n3cccc3)CCCC2)cc1
InChIInChI=1S/C16H19N/c1-2-8-15(9-3-1)14-16(10-4-5-11-16)17-12-6-7-13-17/h1-3,6-9,12-13H,4-5,10-11,14H2
InChIKeyLRKHMGBUUWBRPY-UHFFFAOYSA-N
XLogP4.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 80602159
(1-benzylcycloheptyl)methanamine
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4-benzyl-1-methyl-4-piperazin-1-ylazepane
CID 142267133
azane;3,3-dibenzylcyclooctyne
CID 130455320
1-benzyl-2,2-dimethylcyclohexan-1-amine
CID 79836797
1-[1-(3-phenylpropyl)cyclohexyl]piperidine
CID 71415432
(4-benzylpiperazin-1-yl)-(1-pyrrol-1-ylcyclohexyl)methanone
CID 46328243
(1-benzylcyclohexyl)-oxido-oxophosphanium
CID 172783105
(2-benzyloxan-2-yl)silane
CID 123186626
(1-isocyanatocyclopentyl)methylbenzene
CID 105453635
1-benzyl-N-methylcyclobutan-1-amine
CID 89012773

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylcyclopentyl)pyrrole?
The IUPAC name of 1-(1-benzylcyclopentyl)pyrrole (CID 57128250) is 1-(1-benzylcyclopentyl)pyrrole.
What is the SMILES notation for 1-(1-benzylcyclopentyl)pyrrole?
The canonical SMILES for 1-(1-benzylcyclopentyl)pyrrole is c1ccc(CC2(n3cccc3)CCCC2)cc1.
What is the InChIKey of 1-(1-benzylcyclopentyl)pyrrole?
The InChIKey is LRKHMGBUUWBRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-2-8-15(9-3-1)14-16(10-4-5-11-16)17-12-6-7-13-17/h1-3,6-9,12-13H,4-5,10-11,14H2.
What are the key properties of 1-(1-benzylcyclopentyl)pyrrole?
1-(1-benzylcyclopentyl)pyrrole has a molecular weight of 225.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylcyclopentyl)pyrrole is sourced from PubChem (CID 57128250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).