3-butan-2-ylcyclopenta[c]pyrrole

C11H13N — CID 21095609

IUPAC3-butan-2-ylcyclopenta[c]pyrrole
SMILESCCC(C)C1=C2C=CC=C2C=N1
InChIInChI=1S/C11H13N/c1-3-8(2)11-10-6-4-5-9(10)7-12-11/h4-8H,3H2,1-2H3
InChIKeyBGQXTEQILCJKEW-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.87
Rot. Bonds2

About 3-butan-2-ylcyclopenta[c]pyrrole

3-butan-2-ylcyclopenta[c]pyrrole (PubChem CID 21095609) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-butan-2-ylcyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-butan-2-ylcyclopenta[c]pyrrole
PubChem CID21095609
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-butan-2-ylcyclopenta[c]pyrrole
SMILESCCC(C)C1=C2C=CC=C2C=N1
InChIInChI=1S/C11H13N/c1-3-8(2)11-10-6-4-5-9(10)7-12-11/h4-8H,3H2,1-2H3
InChIKeyBGQXTEQILCJKEW-UHFFFAOYSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylcyclopenta[c]pyrrole?
The IUPAC name of 3-butan-2-ylcyclopenta[c]pyrrole (CID 21095609) is 3-butan-2-ylcyclopenta[c]pyrrole.
What is the SMILES notation for 3-butan-2-ylcyclopenta[c]pyrrole?
The canonical SMILES for 3-butan-2-ylcyclopenta[c]pyrrole is CCC(C)C1=C2C=CC=C2C=N1.
What is the InChIKey of 3-butan-2-ylcyclopenta[c]pyrrole?
The InChIKey is BGQXTEQILCJKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-3-8(2)11-10-6-4-5-9(10)7-12-11/h4-8H,3H2,1-2H3.
What are the key properties of 3-butan-2-ylcyclopenta[c]pyrrole?
3-butan-2-ylcyclopenta[c]pyrrole has a molecular weight of 159.23 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylcyclopenta[c]pyrrole is sourced from PubChem (CID 21095609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).