(5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine

C10H13N — CID 164668550

IUPAC(5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine
SMILESC/C=C1\C=CC2NCCC=C12
InChIInChI=1S/C10H13N/c1-2-8-5-6-10-9(8)4-3-7-11-10/h2,4-6,10-11H,3,7H2,1H3/b8-2+
InChIKeyZSOVOMWBUAUAON-KRXBUXKQSA-N
MW147.22 g/mol
LogP1.79
Rot. Bonds

About (5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine

(5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine (PubChem CID 164668550) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name(5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine
PubChem CID164668550
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine
SMILESC/C=C1\C=CC2NCCC=C12
InChIInChI=1S/C10H13N/c1-2-8-5-6-10-9(8)4-3-7-11-10/h2,4-6,10-11H,3,7H2,1H3/b8-2+
InChIKeyZSOVOMWBUAUAON-KRXBUXKQSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine?
The IUPAC name of (5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine (CID 164668550) is (5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine.
What is the SMILES notation for (5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine?
The canonical SMILES for (5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine is C/C=C1\C=CC2NCCC=C12.
What is the InChIKey of (5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine?
The InChIKey is ZSOVOMWBUAUAON-KRXBUXKQSA-N. The full InChI is InChI=1S/C10H13N/c1-2-8-5-6-10-9(8)4-3-7-11-10/h2,4-6,10-11H,3,7H2,1H3/b8-2+.
What are the key properties of (5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine?
(5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine has a molecular weight of 147.22 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-1,2,3,7a-tetrahydrocyclopenta[b]pyridine is sourced from PubChem (CID 164668550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).