2,5,5-trimethyl-1H-cyclohepta[b]pyrrole

C12H15N — CID 90887070

IUPAC2,5,5-trimethyl-1H-cyclohepta[b]pyrrole
SMILESCc1cc2c([nH]1)=CC=CC(C)(C)C=2
InChIInChI=1S/C12H15N/c1-9-7-10-8-12(2,3)6-4-5-11(10)13-9/h4-8,13H,1-3H3
InChIKeyQDHLNUXFVMVDRQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.48
Rot. Bonds

About 2,5,5-trimethyl-1H-cyclohepta[b]pyrrole

2,5,5-trimethyl-1H-cyclohepta[b]pyrrole (PubChem CID 90887070) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,5,5-trimethyl-1H-cyclohepta[b]pyrrole.

Molecular Properties

Compound Name2,5,5-trimethyl-1H-cyclohepta[b]pyrrole
PubChem CID90887070
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2,5,5-trimethyl-1H-cyclohepta[b]pyrrole
SMILESCc1cc2c([nH]1)=CC=CC(C)(C)C=2
InChIInChI=1S/C12H15N/c1-9-7-10-8-12(2,3)6-4-5-11(10)13-9/h4-8,13H,1-3H3
InChIKeyQDHLNUXFVMVDRQ-UHFFFAOYSA-N
XLogP1.48
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2,5,5-trimethyl-1H-cyclohepta[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 2,5,5-trimethyl-1H-cyclohepta[b]pyrrole?
The IUPAC name of 2,5,5-trimethyl-1H-cyclohepta[b]pyrrole (CID 90887070) is 2,5,5-trimethyl-1H-cyclohepta[b]pyrrole.
What is the SMILES notation for 2,5,5-trimethyl-1H-cyclohepta[b]pyrrole?
The canonical SMILES for 2,5,5-trimethyl-1H-cyclohepta[b]pyrrole is Cc1cc2c([nH]1)=CC=CC(C)(C)C=2.
What is the InChIKey of 2,5,5-trimethyl-1H-cyclohepta[b]pyrrole?
The InChIKey is QDHLNUXFVMVDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9-7-10-8-12(2,3)6-4-5-11(10)13-9/h4-8,13H,1-3H3.
What are the key properties of 2,5,5-trimethyl-1H-cyclohepta[b]pyrrole?
2,5,5-trimethyl-1H-cyclohepta[b]pyrrole has a molecular weight of 173.26 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1H-cyclohepta[b]pyrrole is sourced from PubChem (CID 90887070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).