Tetrahydrodicyclopenta-[b,e]pyridine

C11H11N — CID 129776972

IUPAC2-azatricyclo[7.3.0.03,7]dodeca-1,7,9,11-tetraene
SMILESC1CC2C(=CC3=CC=CC3=N2)C1
InChIInChI=1S/C11H11N/c1-3-8-7-9-4-2-6-11(9)12-10(8)5-1/h1,3,5,7,11H,2,4,6H2
InChIKeyYPZDGNIMPOFCQP-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.60
Rot. Bonds

About Tetrahydrodicyclopenta-[b,e]pyridine

Tetrahydrodicyclopenta-[b,e]pyridine (PubChem CID 129776972) has the molecular formula C11H11N and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-azatricyclo[7.3.0.03,7]dodeca-1,7,9,11-tetraene.

Molecular Properties

Compound NameTetrahydrodicyclopenta-[b,e]pyridine
PubChem CID129776972
Molecular FormulaC11H11N
Molecular Weight157.21 g/mol
Exact Mass157.09
IUPAC Name2-azatricyclo[7.3.0.03,7]dodeca-1,7,9,11-tetraene
SMILESC1CC2C(=CC3=CC=CC3=N2)C1
InChIInChI=1S/C11H11N/c1-3-8-7-9-4-2-6-11(9)12-10(8)5-1/h1,3,5,7,11H,2,4,6H2
InChIKeyYPZDGNIMPOFCQP-UHFFFAOYSA-N
XLogP1.60
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity342

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8aH-carbazole
CID 9548747
7-Fluorotetrahydrocyclopenta[b]indole
CID 129744738
2H-Indole
CID 19013146
Indoloindole
CID 21887135
2-methyl-2H-indole
CID 58371059
Tetrahydrocyclopent(b)indole
CID 66869719
2h-Cyclopenta[cd]indole
CID 135121977
2,3,4,9a-tetrahydro-1H-carbazole;rhodium
CID 166447454
7-methyl-2H-indole
CID 13640031
6,7-dihydro-2H-cyclopenta[b]pyridine
CID 19100511
3-methyl-2H-indole
CID 20767131
3-ethyl-2H-indole
CID 22086775

Frequently Asked Questions

What is the IUPAC name of Tetrahydrodicyclopenta-[b,e]pyridine?
The IUPAC name of Tetrahydrodicyclopenta-[b,e]pyridine (CID 129776972) is 2-azatricyclo[7.3.0.03,7]dodeca-1,7,9,11-tetraene.
What is the SMILES notation for Tetrahydrodicyclopenta-[b,e]pyridine?
The canonical SMILES for Tetrahydrodicyclopenta-[b,e]pyridine is C1CC2C(=CC3=CC=CC3=N2)C1.
What is the InChIKey of Tetrahydrodicyclopenta-[b,e]pyridine?
The InChIKey is YPZDGNIMPOFCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-3-8-7-9-4-2-6-11(9)12-10(8)5-1/h1,3,5,7,11H,2,4,6H2.
What are the key properties of Tetrahydrodicyclopenta-[b,e]pyridine?
Tetrahydrodicyclopenta-[b,e]pyridine has a molecular weight of 157.21 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Tetrahydrodicyclopenta-[b,e]pyridine is sourced from PubChem (CID 129776972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).