3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine

C12H17NO — CID 89025689

IUPAC3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCOc1c(C)nc2c(c1C)C(C)CC2
InChIInChI=1S/C12H17NO/c1-7-5-6-10-11(7)8(2)12(14-4)9(3)13-10/h7H,5-6H2,1-4H3
InChIKeyRWPKTHLHFDGQKY-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.76
Rot. Bonds1

About 3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine

3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 89025689) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID89025689
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCOc1c(C)nc2c(c1C)C(C)CC2
InChIInChI=1S/C12H17NO/c1-7-5-6-10-11(7)8(2)12(14-4)9(3)13-10/h7H,5-6H2,1-4H3
InChIKeyRWPKTHLHFDGQKY-UHFFFAOYSA-N
XLogP2.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 89025689) is 3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine is COc1c(C)nc2c(c1C)C(C)CC2.
What is the InChIKey of 3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is RWPKTHLHFDGQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-7-5-6-10-11(7)8(2)12(14-4)9(3)13-10/h7H,5-6H2,1-4H3.
What are the key properties of 3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 191.27 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 89025689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).