2,3,5,6-tetrahydrocyclohepta[b]pyrrole

C9H11N — CID 91212488

IUPAC2,3,5,6-tetrahydrocyclohepta[b]pyrrole
SMILESC1=CC2=NCCC2=CCC1
InChIInChI=1S/C9H11N/c1-2-4-8-6-7-10-9(8)5-3-1/h3-5H,1-2,6-7H2
InChIKeyPINXQIVVBHUWIA-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.11
Rot. Bonds

About 2,3,5,6-tetrahydrocyclohepta[b]pyrrole

2,3,5,6-tetrahydrocyclohepta[b]pyrrole (PubChem CID 91212488) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2,3,5,6-tetrahydrocyclohepta[b]pyrrole.

Molecular Properties

Compound Name2,3,5,6-tetrahydrocyclohepta[b]pyrrole
PubChem CID91212488
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2,3,5,6-tetrahydrocyclohepta[b]pyrrole
SMILESC1=CC2=NCCC2=CCC1
InChIInChI=1S/C9H11N/c1-2-4-8-6-7-10-9(8)5-3-1/h3-5H,1-2,6-7H2
InChIKeyPINXQIVVBHUWIA-UHFFFAOYSA-N
XLogP2.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,5,6-tetrahydrocyclohepta[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

Related Compounds

5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
CID 90829219
Cycloheptazoline
CID 129710643
2,3,4,6-Tetrahydroquinoline
CID 20558379
2,3-Dihydrocyclopenta[f]indole
CID 53788449
1,2-Dihydrocyclopenta[e]indole
CID 57781253
3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine
CID 69182582
6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole
CID 90855606
(4Z)-4-prop-2-enylidene-5-propyl-2,3-dihydropyrrole
CID 90941087
3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine
CID 91269090
(4Z)-5-[(Z)-prop-1-enyl]-4-propylidene-2,3-dihydropyrrole
CID 91278108
5,5-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole
CID 91352672
4-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole
CID 91437753

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrahydrocyclohepta[b]pyrrole?
The IUPAC name of 2,3,5,6-tetrahydrocyclohepta[b]pyrrole (CID 91212488) is 2,3,5,6-tetrahydrocyclohepta[b]pyrrole.
What is the SMILES notation for 2,3,5,6-tetrahydrocyclohepta[b]pyrrole?
The canonical SMILES for 2,3,5,6-tetrahydrocyclohepta[b]pyrrole is C1=CC2=NCCC2=CCC1.
What is the InChIKey of 2,3,5,6-tetrahydrocyclohepta[b]pyrrole?
The InChIKey is PINXQIVVBHUWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-4-8-6-7-10-9(8)5-3-1/h3-5H,1-2,6-7H2.
What are the key properties of 2,3,5,6-tetrahydrocyclohepta[b]pyrrole?
2,3,5,6-tetrahydrocyclohepta[b]pyrrole has a molecular weight of 133.19 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrahydrocyclohepta[b]pyrrole is sourced from PubChem (CID 91212488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).