2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole

C18H15N — CID 159054874

IUPAC2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole
SMILESCCC1=NC2=CC=CC2=C1C1C=Cc2ccccc21
InChIInChI=1S/C18H15N/c1-2-16-18(15-8-5-9-17(15)19-16)14-11-10-12-6-3-4-7-13(12)14/h3-11,14H,2H2,1H3
InChIKeyACTXARFIJGACOO-UHFFFAOYSA-N
MW245.32 g/mol
LogP4.41
Rot. Bonds2

About 2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole

2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole (PubChem CID 159054874) has the molecular formula C18H15N and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole
PubChem CID159054874
Molecular FormulaC18H15N
Molecular Weight245.32 g/mol
Exact Mass245.12
IUPAC Name2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole
SMILESCCC1=NC2=CC=CC2=C1C1C=Cc2ccccc21
InChIInChI=1S/C18H15N/c1-2-16-18(15-8-5-9-17(15)19-16)14-11-10-12-6-3-4-7-13(12)14/h3-11,14H,2H2,1H3
InChIKeyACTXARFIJGACOO-UHFFFAOYSA-N
XLogP4.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole;zirconium(2+);dichloride
CID 159054873
2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]phosphole;zirconium(2+);dichloride
CID 161454847
3,4-diethyl-2-(1H-inden-1-yl)thiophene
CID 90990047
1-(3-ethylphenyl)-1H-indene
CID 87675189
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
(1S)-1-phenyl-1H-indene
CID 86309914
1-(1H-inden-1-yl)-2-propylnaphthalene
CID 21095753
1-(4-butylphenyl)-1H-indene
CID 159304523
1-[3-(1H-inden-1-yl)phenyl]-1H-indene
CID 15872860
1-(2-methoxyphenyl)-1H-indene
CID 15345370
CID 173308465
CID 173308465
5-(chloromethyl)-3-(1H-inden-1-yl)-1,2,4-oxadiazole
CID 172716072

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole?
The IUPAC name of 2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole (CID 159054874) is 2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole.
What is the SMILES notation for 2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole?
The canonical SMILES for 2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole is CCC1=NC2=CC=CC2=C1C1C=Cc2ccccc21.
What is the InChIKey of 2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole?
The InChIKey is ACTXARFIJGACOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c1-2-16-18(15-8-5-9-17(15)19-16)14-11-10-12-6-3-4-7-13(12)14/h3-11,14H,2H2,1H3.
What are the key properties of 2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole?
2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole has a molecular weight of 245.32 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole is sourced from PubChem (CID 159054874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).