2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole

C10H15N — CID 118532319

IUPAC2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESCC(C)C1=NC2=C(CCC2)C1
InChIInChI=1S/C10H15N/c1-7(2)10-6-8-4-3-5-9(8)11-10/h7H,3-6H2,1-2H3
InChIKeyNIVYJMPXTTUGKO-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.93
Rot. Bonds1

About 2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole

2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole (PubChem CID 118532319) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
PubChem CID118532319
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESCC(C)C1=NC2=C(CCC2)C1
InChIInChI=1S/C10H15N/c1-7(2)10-6-8-4-3-5-9(8)11-10/h7H,3-6H2,1-2H3
InChIKeyNIVYJMPXTTUGKO-UHFFFAOYSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The IUPAC name of 2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole (CID 118532319) is 2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The canonical SMILES for 2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole is CC(C)C1=NC2=C(CCC2)C1.
What is the InChIKey of 2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The InChIKey is NIVYJMPXTTUGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7(2)10-6-8-4-3-5-9(8)11-10/h7H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole has a molecular weight of 149.24 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 118532319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).