(7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane

C11H19NO — CID 163655261

IUPAC(7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane
SMILESC=C[C@@H]1CC([C@@H](C)OC)NC12CC2
InChIInChI=1S/C11H19NO/c1-4-9-7-10(8(2)13-3)12-11(9)5-6-11/h4,8-10,12H,1,5-7H2,2-3H3/t8-,9-,10?/m1/s1
InChIKeyIPRAXJABJSEASL-MGRQHWMJSA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds3

About (7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane

(7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane (PubChem CID 163655261) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name(7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane
PubChem CID163655261
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane
SMILESC=C[C@@H]1CC([C@@H](C)OC)NC12CC2
InChIInChI=1S/C11H19NO/c1-4-9-7-10(8(2)13-3)12-11(9)5-6-11/h4,8-10,12H,1,5-7H2,2-3H3/t8-,9-,10?/m1/s1
InChIKeyIPRAXJABJSEASL-MGRQHWMJSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine
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2-[(1R,2S)-2-ethenyl-1-methoxy-3-methylbut-3-enyl]pyrrolidine
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CID 164071685
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CID 103580803
2-cyclopropyl-N-hex-5-en-2-yloxolan-3-amine
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CID 104986834
N-methyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine
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CID 104986910

Frequently Asked Questions

What is the IUPAC name of (7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane?
The IUPAC name of (7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane (CID 163655261) is (7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane.
What is the SMILES notation for (7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane?
The canonical SMILES for (7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane is C=C[C@@H]1CC([C@@H](C)OC)NC12CC2.
What is the InChIKey of (7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane?
The InChIKey is IPRAXJABJSEASL-MGRQHWMJSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-9-7-10(8(2)13-3)12-11(9)5-6-11/h4,8-10,12H,1,5-7H2,2-3H3/t8-,9-,10?/m1/s1.
What are the key properties of (7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane?
(7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane has a molecular weight of 181.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane is sourced from PubChem (CID 163655261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).