1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine

C15H21NO — CID 163144630

IUPAC1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine
SMILESCC1=CC[C@H]2COC(C3=CC=CN(C)C3)[C@@H]1C2
InChIInChI=1S/C15H21NO/c1-11-5-6-12-8-14(11)15(17-10-12)13-4-3-7-16(2)9-13/h3-5,7,12,14-15H,6,8-10H2,1-2H3/t12-,14-,15?/m1/s1
InChIKeyLBEBNBXRCVCPOC-QRYBPTEFSA-N
MW231.34 g/mol
LogP2.74
Rot. Bonds1

About 1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine

1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine (PubChem CID 163144630) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine.

Molecular Properties

Compound Name1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine
PubChem CID163144630
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine
SMILESCC1=CC[C@H]2COC(C3=CC=CN(C)C3)[C@@H]1C2
InChIInChI=1S/C15H21NO/c1-11-5-6-12-8-14(11)15(17-10-12)13-4-3-7-16(2)9-13/h3-5,7,12,14-15H,6,8-10H2,1-2H3/t12-,14-,15?/m1/s1
InChIKeyLBEBNBXRCVCPOC-QRYBPTEFSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine?
The IUPAC name of 1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine (CID 163144630) is 1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine.
What is the SMILES notation for 1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine?
The canonical SMILES for 1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine is CC1=CC[C@H]2COC(C3=CC=CN(C)C3)[C@@H]1C2.
What is the InChIKey of 1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine?
The InChIKey is LBEBNBXRCVCPOC-QRYBPTEFSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-5-6-12-8-14(11)15(17-10-12)13-4-3-7-16(2)9-13/h3-5,7,12,14-15H,6,8-10H2,1-2H3/t12-,14-,15?/m1/s1.
What are the key properties of 1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine?
1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine has a molecular weight of 231.34 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-2H-pyridine is sourced from PubChem (CID 163144630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).