2,5-dimethyl-4-phenylcyclopenta[b]pyrrole

C15H13N — CID 141001156

IUPAC2,5-dimethyl-4-phenylcyclopenta[b]pyrrole
SMILESCC1=NC2=CC(C)=C(c3ccccc3)C2=C1
InChIInChI=1S/C15H13N/c1-10-8-14-13(9-11(2)16-14)15(10)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyWLWAWDZQNJSZCR-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.76
Rot. Bonds1

About 2,5-dimethyl-4-phenylcyclopenta[b]pyrrole

2,5-dimethyl-4-phenylcyclopenta[b]pyrrole (PubChem CID 141001156) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 2,5-dimethyl-4-phenylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-4-phenylcyclopenta[b]pyrrole
PubChem CID141001156
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name2,5-dimethyl-4-phenylcyclopenta[b]pyrrole
SMILESCC1=NC2=CC(C)=C(c3ccccc3)C2=C1
InChIInChI=1S/C15H13N/c1-10-8-14-13(9-11(2)16-14)15(10)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyWLWAWDZQNJSZCR-UHFFFAOYSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4-triphenylcyclopenta-2,4-dien-1-one
CID 12722873
ethane;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 91380826
3,4,5-trimethyl-6-phenylpyridazine
CID 169124700
benzene;1,1'-biphenyl;ethane
CID 158550617
1,1'-biphenyl;λ2-stannane;dihydrochloride
CID 173025942
2-methyl-3-phenylinden-1-one
CID 2750462
3-methyl-4-phenylpyrrole-2,5-dione
CID 54119912
2,5-diethyl-3-phenylcyclopenta[b]pyrrole
CID 67032374
3-methyl-4,7-diphenyl-2-oxa-1lambda4,8-dithiabicyclo[3.3.0]octa-1(5),3,6-triene
CID 628245
4,5,6-trimethyl-2-phenylpyrimidine
CID 21336303
ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole
CID 163897080
1,1'-biphenyl;toluene
CID 18366440

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-phenylcyclopenta[b]pyrrole?
The IUPAC name of 2,5-dimethyl-4-phenylcyclopenta[b]pyrrole (CID 141001156) is 2,5-dimethyl-4-phenylcyclopenta[b]pyrrole.
What is the SMILES notation for 2,5-dimethyl-4-phenylcyclopenta[b]pyrrole?
The canonical SMILES for 2,5-dimethyl-4-phenylcyclopenta[b]pyrrole is CC1=NC2=CC(C)=C(c3ccccc3)C2=C1.
What is the InChIKey of 2,5-dimethyl-4-phenylcyclopenta[b]pyrrole?
The InChIKey is WLWAWDZQNJSZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-10-8-14-13(9-11(2)16-14)15(10)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 2,5-dimethyl-4-phenylcyclopenta[b]pyrrole?
2,5-dimethyl-4-phenylcyclopenta[b]pyrrole has a molecular weight of 207.28 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-phenylcyclopenta[b]pyrrole is sourced from PubChem (CID 141001156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).