1,3-dimethylcyclohepta[b]pyrrole

C11H11N — CID 143387311

IUPAC1,3-dimethylcyclohepta[b]pyrrole
SMILESCc1cn(C)c2c1=CC=C=CC=2
InChIInChI=1S/C11H11N/c1-9-8-12(2)11-7-5-3-4-6-10(9)11/h4-8H,1-2H3
InChIKeyBXSRPTHTSRELLM-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.62
Rot. Bonds

About 1,3-dimethylcyclohepta[b]pyrrole

1,3-dimethylcyclohepta[b]pyrrole (PubChem CID 143387311) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 1,3-dimethylcyclohepta[b]pyrrole.

Molecular Properties

Compound Name1,3-dimethylcyclohepta[b]pyrrole
PubChem CID143387311
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name1,3-dimethylcyclohepta[b]pyrrole
SMILESCc1cn(C)c2c1=CC=C=CC=2
InChIInChI=1S/C11H11N/c1-9-8-12(2)11-7-5-3-4-6-10(9)11/h4-8H,1-2H3
InChIKeyBXSRPTHTSRELLM-UHFFFAOYSA-N
XLogP0.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclohepta[b]pyrrole?
The IUPAC name of 1,3-dimethylcyclohepta[b]pyrrole (CID 143387311) is 1,3-dimethylcyclohepta[b]pyrrole.
What is the SMILES notation for 1,3-dimethylcyclohepta[b]pyrrole?
The canonical SMILES for 1,3-dimethylcyclohepta[b]pyrrole is Cc1cn(C)c2c1=CC=C=CC=2.
What is the InChIKey of 1,3-dimethylcyclohepta[b]pyrrole?
The InChIKey is BXSRPTHTSRELLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-9-8-12(2)11-7-5-3-4-6-10(9)11/h4-8H,1-2H3.
What are the key properties of 1,3-dimethylcyclohepta[b]pyrrole?
1,3-dimethylcyclohepta[b]pyrrole has a molecular weight of 157.22 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclohepta[b]pyrrole is sourced from PubChem (CID 143387311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).