1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole

C16H19N — CID 141383259

IUPAC1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole
SMILESCc1ccccc1[C@@H]1CC[C@H](n2cccc2)C1
InChIInChI=1S/C16H19N/c1-13-6-2-3-7-16(13)14-8-9-15(12-14)17-10-4-5-11-17/h2-7,10-11,14-15H,8-9,12H2,1H3/t14-,15+/m1/s1
InChIKeyLZYCNLGHIXTYJW-CABCVRRESA-N
MW225.34 g/mol
LogP4.31
Rot. Bonds2

About 1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole

1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole (PubChem CID 141383259) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole.

Molecular Properties

Compound Name1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole
PubChem CID141383259
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole
SMILESCc1ccccc1[C@@H]1CC[C@H](n2cccc2)C1
InChIInChI=1S/C16H19N/c1-13-6-2-3-7-16(13)14-8-9-15(12-14)17-10-4-5-11-17/h2-7,10-11,14-15H,8-9,12H2,1H3/t14-,15+/m1/s1
InChIKeyLZYCNLGHIXTYJW-CABCVRRESA-N
XLogP4.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole?
The IUPAC name of 1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole (CID 141383259) is 1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole.
What is the SMILES notation for 1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole?
The canonical SMILES for 1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole is Cc1ccccc1[C@@H]1CC[C@H](n2cccc2)C1.
What is the InChIKey of 1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole?
The InChIKey is LZYCNLGHIXTYJW-CABCVRRESA-N. The full InChI is InChI=1S/C16H19N/c1-13-6-2-3-7-16(13)14-8-9-15(12-14)17-10-4-5-11-17/h2-7,10-11,14-15H,8-9,12H2,1H3/t14-,15+/m1/s1.
What are the key properties of 1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole?
1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole has a molecular weight of 225.34 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole is sourced from PubChem (CID 141383259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).