2-methyl-1,5-dihydrocyclohepta[b]pyrrole

C10H11N — CID 123375088

IUPAC2-methyl-1,5-dihydrocyclohepta[b]pyrrole
SMILESCc1cc2c([nH]1)=CC=CCC=2
InChIInChI=1S/C10H11N/c1-8-7-9-5-3-2-4-6-10(9)11-8/h2,4-7,11H,3H2,1H3
InChIKeyVFOWEPXBPNJEON-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.84
Rot. Bonds

About 2-methyl-1,5-dihydrocyclohepta[b]pyrrole

2-methyl-1,5-dihydrocyclohepta[b]pyrrole (PubChem CID 123375088) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-methyl-1,5-dihydrocyclohepta[b]pyrrole.

Molecular Properties

Compound Name2-methyl-1,5-dihydrocyclohepta[b]pyrrole
PubChem CID123375088
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-methyl-1,5-dihydrocyclohepta[b]pyrrole
SMILESCc1cc2c([nH]1)=CC=CCC=2
InChIInChI=1S/C10H11N/c1-8-7-9-5-3-2-4-6-10(9)11-8/h2,4-7,11H,3H2,1H3
InChIKeyVFOWEPXBPNJEON-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,5-dihydrocyclohepta[b]pyrrole?
The IUPAC name of 2-methyl-1,5-dihydrocyclohepta[b]pyrrole (CID 123375088) is 2-methyl-1,5-dihydrocyclohepta[b]pyrrole.
What is the SMILES notation for 2-methyl-1,5-dihydrocyclohepta[b]pyrrole?
The canonical SMILES for 2-methyl-1,5-dihydrocyclohepta[b]pyrrole is Cc1cc2c([nH]1)=CC=CCC=2.
What is the InChIKey of 2-methyl-1,5-dihydrocyclohepta[b]pyrrole?
The InChIKey is VFOWEPXBPNJEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-7-9-5-3-2-4-6-10(9)11-8/h2,4-7,11H,3H2,1H3.
What are the key properties of 2-methyl-1,5-dihydrocyclohepta[b]pyrrole?
2-methyl-1,5-dihydrocyclohepta[b]pyrrole has a molecular weight of 145.20 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,5-dihydrocyclohepta[b]pyrrole is sourced from PubChem (CID 123375088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).