7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine

C9H17NO — CID 143686108

IUPAC7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
SMILESCOC1CCC2CCNCC21
InChIInChI=1S/C9H17NO/c1-11-9-3-2-7-4-5-10-6-8(7)9/h7-10H,2-6H2,1H3
InChIKeyRSMPRTQVNSFIMG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds1

About 7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine

7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine (PubChem CID 143686108) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
PubChem CID143686108
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
SMILESCOC1CCC2CCNCC21
InChIInChI=1S/C9H17NO/c1-11-9-3-2-7-4-5-10-6-8(7)9/h7-10H,2-6H2,1H3
InChIKeyRSMPRTQVNSFIMG-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The IUPAC name of 7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine (CID 143686108) is 7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine.
What is the SMILES notation for 7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The canonical SMILES for 7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine is COC1CCC2CCNCC21.
What is the InChIKey of 7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The InChIKey is RSMPRTQVNSFIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-11-9-3-2-7-4-5-10-6-8(7)9/h7-10H,2-6H2,1H3.
What are the key properties of 7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine has a molecular weight of 155.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine is sourced from PubChem (CID 143686108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).