3-butan-2-ylcyclopenta[b]pyrrole

C11H13N — CID 21095605

IUPAC3-butan-2-ylcyclopenta[b]pyrrole
SMILESCCC(C)C1=C2C=CC=C2N=C1
InChIInChI=1S/C11H13N/c1-3-8(2)10-7-12-11-6-4-5-9(10)11/h4-8H,3H2,1-2H3
InChIKeySMCMEYZDQNADSW-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.87
Rot. Bonds2

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

3-butan-2-ylcyclopenta[b]pyrrole (PubChem CID 21095605) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-butan-2-ylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name3-butan-2-ylcyclopenta[b]pyrrole
PubChem CID21095605
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-butan-2-ylcyclopenta[b]pyrrole
SMILESCCC(C)C1=C2C=CC=C2N=C1
InChIInChI=1S/C11H13N/c1-3-8(2)10-7-12-11-6-4-5-9(10)11/h4-8H,3H2,1-2H3
InChIKeySMCMEYZDQNADSW-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

Analyze 3-butan-2-ylcyclopenta[b]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylcyclopenta[b]pyrrole?
The IUPAC name of 3-butan-2-ylcyclopenta[b]pyrrole (CID 21095605) is 3-butan-2-ylcyclopenta[b]pyrrole.
What is the SMILES notation for 3-butan-2-ylcyclopenta[b]pyrrole?
The canonical SMILES for 3-butan-2-ylcyclopenta[b]pyrrole is CCC(C)C1=C2C=CC=C2N=C1.
What is the InChIKey of 3-butan-2-ylcyclopenta[b]pyrrole?
The InChIKey is SMCMEYZDQNADSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-3-8(2)10-7-12-11-6-4-5-9(10)11/h4-8H,3H2,1-2H3.
What are the key properties of 3-butan-2-ylcyclopenta[b]pyrrole?
3-butan-2-ylcyclopenta[b]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[b]pyrrole is sourced from PubChem (CID 21095605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).