2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole

C17H16N2 — CID 161362552

IUPAC2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole
SMILESCC1=NC2=CC=CC2=C1.CCC1=NC2=CC=CC2=C1
InChIInChI=1S/C9H9N.C8H7N/c1-2-8-6-7-4-3-5-9(7)10-8;1-6-5-7-3-2-4-8(7)9-6/h3-6H,2H2,1H3;2-5H,1H3
InChIKeyVPJKCCOEKSIXHK-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.07
Rot. Bonds1

About 2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole

2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole (PubChem CID 161362552) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole
PubChem CID161362552
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole
SMILESCC1=NC2=CC=CC2=C1.CCC1=NC2=CC=CC2=C1
InChIInChI=1S/C9H9N.C8H7N/c1-2-8-6-7-4-3-5-9(7)10-8;1-6-5-7-3-2-4-8(7)9-6/h3-6H,2H2,1H3;2-5H,1H3
InChIKeyVPJKCCOEKSIXHK-UHFFFAOYSA-N
XLogP4.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole?
The IUPAC name of 2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole (CID 161362552) is 2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole.
What is the SMILES notation for 2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole?
The canonical SMILES for 2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole is CC1=NC2=CC=CC2=C1.CCC1=NC2=CC=CC2=C1.
What is the InChIKey of 2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole?
The InChIKey is VPJKCCOEKSIXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C8H7N/c1-2-8-6-7-4-3-5-9(7)10-8;1-6-5-7-3-2-4-8(7)9-6/h3-6H,2H2,1H3;2-5H,1H3.
What are the key properties of 2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole?
2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole has a molecular weight of 248.33 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclopenta[b]pyrrole;2-methylcyclopenta[b]pyrrole is sourced from PubChem (CID 161362552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).