3-methyl-1,8-dihydrocyclohepta[b]pyrrole

C10H11N — CID 143592907

IUPAC3-methyl-1,8-dihydrocyclohepta[b]pyrrole
SMILESCc1c[nH]c2c1C=CC=CC2
InChIInChI=1S/C10H11N/c1-8-7-11-10-6-4-2-3-5-9(8)10/h2-5,7,11H,6H2,1H3
InChIKeyGIKUKGUDTCAWFO-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.45
Rot. Bonds

About 3-methyl-1,8-dihydrocyclohepta[b]pyrrole

3-methyl-1,8-dihydrocyclohepta[b]pyrrole (PubChem CID 143592907) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-methyl-1,8-dihydrocyclohepta[b]pyrrole.

Molecular Properties

Compound Name3-methyl-1,8-dihydrocyclohepta[b]pyrrole
PubChem CID143592907
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-methyl-1,8-dihydrocyclohepta[b]pyrrole
SMILESCc1c[nH]c2c1C=CC=CC2
InChIInChI=1S/C10H11N/c1-8-7-11-10-6-4-2-3-5-9(8)10/h2-5,7,11H,6H2,1H3
InChIKeyGIKUKGUDTCAWFO-UHFFFAOYSA-N
XLogP2.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 3-methyl-1,8-dihydrocyclohepta[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-methyl-1,8-dihydrocyclohepta[b]pyrrole?
The IUPAC name of 3-methyl-1,8-dihydrocyclohepta[b]pyrrole (CID 143592907) is 3-methyl-1,8-dihydrocyclohepta[b]pyrrole.
What is the SMILES notation for 3-methyl-1,8-dihydrocyclohepta[b]pyrrole?
The canonical SMILES for 3-methyl-1,8-dihydrocyclohepta[b]pyrrole is Cc1c[nH]c2c1C=CC=CC2.
What is the InChIKey of 3-methyl-1,8-dihydrocyclohepta[b]pyrrole?
The InChIKey is GIKUKGUDTCAWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-7-11-10-6-4-2-3-5-9(8)10/h2-5,7,11H,6H2,1H3.
What are the key properties of 3-methyl-1,8-dihydrocyclohepta[b]pyrrole?
3-methyl-1,8-dihydrocyclohepta[b]pyrrole has a molecular weight of 145.20 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,8-dihydrocyclohepta[b]pyrrole is sourced from PubChem (CID 143592907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).