2,3,3,5,5-pentamethylcyclohepta[b]pyrrole

C14H19N — CID 123731253

IUPAC2,3,3,5,5-pentamethylcyclohepta[b]pyrrole
SMILESCC1=NC2=CC=CC(C)(C)C=C2C1(C)C
InChIInChI=1S/C14H19N/c1-10-14(4,5)11-9-13(2,3)8-6-7-12(11)15-10/h6-9H,1-5H3
InChIKeyURLOSCUPGGOAHM-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.89
Rot. Bonds

About 2,3,3,5,5-pentamethylcyclohepta[b]pyrrole

2,3,3,5,5-pentamethylcyclohepta[b]pyrrole (PubChem CID 123731253) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,3,3,5,5-pentamethylcyclohepta[b]pyrrole.

Molecular Properties

Compound Name2,3,3,5,5-pentamethylcyclohepta[b]pyrrole
PubChem CID123731253
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2,3,3,5,5-pentamethylcyclohepta[b]pyrrole
SMILESCC1=NC2=CC=CC(C)(C)C=C2C1(C)C
InChIInChI=1S/C14H19N/c1-10-14(4,5)11-9-13(2,3)8-6-7-12(11)15-10/h6-9H,1-5H3
InChIKeyURLOSCUPGGOAHM-UHFFFAOYSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,5,5-pentamethylcyclohepta[b]pyrrole?
The IUPAC name of 2,3,3,5,5-pentamethylcyclohepta[b]pyrrole (CID 123731253) is 2,3,3,5,5-pentamethylcyclohepta[b]pyrrole.
What is the SMILES notation for 2,3,3,5,5-pentamethylcyclohepta[b]pyrrole?
The canonical SMILES for 2,3,3,5,5-pentamethylcyclohepta[b]pyrrole is CC1=NC2=CC=CC(C)(C)C=C2C1(C)C.
What is the InChIKey of 2,3,3,5,5-pentamethylcyclohepta[b]pyrrole?
The InChIKey is URLOSCUPGGOAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10-14(4,5)11-9-13(2,3)8-6-7-12(11)15-10/h6-9H,1-5H3.
What are the key properties of 2,3,3,5,5-pentamethylcyclohepta[b]pyrrole?
2,3,3,5,5-pentamethylcyclohepta[b]pyrrole has a molecular weight of 201.31 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5,5-pentamethylcyclohepta[b]pyrrole is sourced from PubChem (CID 123731253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).