2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine

C17H23NO — CID 157124464

IUPAC2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILESC=CC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C17H23NO/c1-2-8-16(15-7-3-6-12-18-15)11-13-19-17(14-16)9-4-5-10-17/h2-3,6-7,12H,1,4-5,8-11,13-14H2/t16-/m1/s1
InChIKeyNYOPKMXOFUFHBN-MRXNPFEDSA-N
MW257.38 g/mol
LogP4.02
Rot. Bonds3

About 2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine

2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine (PubChem CID 157124464) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine.

Molecular Properties

Compound Name2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine
PubChem CID157124464
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILESC=CC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C17H23NO/c1-2-8-16(15-7-3-6-12-18-15)11-13-19-17(14-16)9-4-5-10-17/h2-3,6-7,12H,1,4-5,8-11,13-14H2/t16-/m1/s1
InChIKeyNYOPKMXOFUFHBN-MRXNPFEDSA-N
XLogP4.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.02
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 2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine?
The IUPAC name of 2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine (CID 157124464) is 2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine.
What is the SMILES notation for 2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine?
The canonical SMILES for 2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine is C=CC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1.
What is the InChIKey of 2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine?
The InChIKey is NYOPKMXOFUFHBN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-8-16(15-7-3-6-12-18-15)11-13-19-17(14-16)9-4-5-10-17/h2-3,6-7,12H,1,4-5,8-11,13-14H2/t16-/m1/s1.
What are the key properties of 2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine?
2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine has a molecular weight of 257.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine is sourced from PubChem (CID 157124464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).