(7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene

C18H25NO — CID 11448642

IUPAC(7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene
SMILESC1=C[C@H](CCOCc2ccccc2)NC2(C1)CCCC2
InChIInChI=1S/C18H25NO/c1-2-7-16(8-3-1)15-20-14-10-17-9-6-13-18(19-17)11-4-5-12-18/h1-3,6-9,17,19H,4-5,10-15H2/t17-/m1/s1
InChIKeyIBXCFXFFQRKLQW-QGZVFWFLSA-N
MW271.40 g/mol
LogP3.82
Rot. Bonds5

About (7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene

(7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene (PubChem CID 11448642) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene.

Molecular Properties

Compound Name(7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene
PubChem CID11448642
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene
SMILESC1=C[C@H](CCOCc2ccccc2)NC2(C1)CCCC2
InChIInChI=1S/C18H25NO/c1-2-7-16(8-3-1)15-20-14-10-17-9-6-13-18(19-17)11-4-5-12-18/h1-3,6-9,17,19H,4-5,10-15H2/t17-/m1/s1
InChIKeyIBXCFXFFQRKLQW-QGZVFWFLSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene?
The IUPAC name of (7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene (CID 11448642) is (7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene.
What is the SMILES notation for (7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene?
The canonical SMILES for (7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene is C1=C[C@H](CCOCc2ccccc2)NC2(C1)CCCC2.
What is the InChIKey of (7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene?
The InChIKey is IBXCFXFFQRKLQW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-7-16(8-3-1)15-20-14-10-17-9-6-13-18(19-17)11-4-5-12-18/h1-3,6-9,17,19H,4-5,10-15H2/t17-/m1/s1.
What are the key properties of (7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene?
(7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene has a molecular weight of 271.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene is sourced from PubChem (CID 11448642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).