2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine

C23H27NO — CID 166685502

IUPAC2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine
SMILESC=C(OC)C1CC2=CCC=C2N=C1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H27NO/c1-16(25-2)21-15-20-9-6-10-22(20)24-23(21)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h9-14,17,21H,1,3-8,15H2,2H3
InChIKeyHWHINSXKMAZVAP-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.92
Rot. Bonds4

About 2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine

2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine (PubChem CID 166685502) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine
PubChem CID166685502
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine
SMILESC=C(OC)C1CC2=CCC=C2N=C1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H27NO/c1-16(25-2)21-15-20-9-6-10-22(20)24-23(21)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h9-14,17,21H,1,3-8,15H2,2H3
InChIKeyHWHINSXKMAZVAP-UHFFFAOYSA-N
XLogP5.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine?
The IUPAC name of 2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine (CID 166685502) is 2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine?
The canonical SMILES for 2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine is C=C(OC)C1CC2=CCC=C2N=C1c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine?
The InChIKey is HWHINSXKMAZVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-16(25-2)21-15-20-9-6-10-22(20)24-23(21)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h9-14,17,21H,1,3-8,15H2,2H3.
What are the key properties of 2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine?
2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine has a molecular weight of 333.48 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-3-(1-methoxyethenyl)-4,6-dihydro-3H-cyclopenta[b]pyridine is sourced from PubChem (CID 166685502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).