1-tert-butyl-3aH-cyclopenta[b]pyrrole

C11H15N — CID 59536710

IUPAC1-tert-butyl-3aH-cyclopenta[b]pyrrole
SMILESCC(C)(C)N1C=CC2C=CC=C21
InChIInChI=1S/C11H15N/c1-11(2,3)12-8-7-9-5-4-6-10(9)12/h4-9H,1-3H3
InChIKeyLTLJPHFGJRZYJI-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.68
Rot. Bonds

About 1-tert-butyl-3aH-cyclopenta[b]pyrrole

1-tert-butyl-3aH-cyclopenta[b]pyrrole (PubChem CID 59536710) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-tert-butyl-3aH-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name1-tert-butyl-3aH-cyclopenta[b]pyrrole
PubChem CID59536710
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-tert-butyl-3aH-cyclopenta[b]pyrrole
SMILESCC(C)(C)N1C=CC2C=CC=C21
InChIInChI=1S/C11H15N/c1-11(2,3)12-8-7-9-5-4-6-10(9)12/h4-9H,1-3H3
InChIKeyLTLJPHFGJRZYJI-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1,5-dimethyl-4a,8a-dihydronaphthalene
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difluorozirconium;1,5-dimethylcyclopenta-1,3-diene
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2-tert-butyl-4a,8a-dihydro-1H-isoquinoline
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(2-methylcyclopenta-2,4-dien-1-yl)silane
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1-tert-butyl-2H-pyridin-2-ol
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(5-tert-butylcyclopenta-1,3-dien-1-yl)-trimethylsilane
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3aH-cyclopenta[b]pyrrole?
The IUPAC name of 1-tert-butyl-3aH-cyclopenta[b]pyrrole (CID 59536710) is 1-tert-butyl-3aH-cyclopenta[b]pyrrole.
What is the SMILES notation for 1-tert-butyl-3aH-cyclopenta[b]pyrrole?
The canonical SMILES for 1-tert-butyl-3aH-cyclopenta[b]pyrrole is CC(C)(C)N1C=CC2C=CC=C21.
What is the InChIKey of 1-tert-butyl-3aH-cyclopenta[b]pyrrole?
The InChIKey is LTLJPHFGJRZYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-11(2,3)12-8-7-9-5-4-6-10(9)12/h4-9H,1-3H3.
What are the key properties of 1-tert-butyl-3aH-cyclopenta[b]pyrrole?
1-tert-butyl-3aH-cyclopenta[b]pyrrole has a molecular weight of 161.25 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3aH-cyclopenta[b]pyrrole is sourced from PubChem (CID 59536710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).