3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene

C11H19NO — CID 176616418

IUPAC3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene
SMILESCC(C)OC1CNC2(CC=CC2)C1
InChIInChI=1S/C11H19NO/c1-9(2)13-10-7-11(12-8-10)5-3-4-6-11/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyMFYVVLMXBBQEOL-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds2

About 3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene

3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene (PubChem CID 176616418) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene.

Molecular Properties

Compound Name3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene
PubChem CID176616418
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene
SMILESCC(C)OC1CNC2(CC=CC2)C1
InChIInChI=1S/C11H19NO/c1-9(2)13-10-7-11(12-8-10)5-3-4-6-11/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyMFYVVLMXBBQEOL-UHFFFAOYSA-N
XLogP1.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
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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Ethane;4-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene
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(3S,4R)-3-[(E)-hex-2-enyl]-4-methoxypyrrolidine
CID 167224673
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1-[(1S)-cyclohex-3-en-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 27444135
1-[(1S)-cyclohex-3-en-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 27444137
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CID 55078152
N-tert-butyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
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CID 63165908

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene?
The IUPAC name of 3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene (CID 176616418) is 3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene.
What is the SMILES notation for 3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene?
The canonical SMILES for 3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene is CC(C)OC1CNC2(CC=CC2)C1.
What is the InChIKey of 3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene?
The InChIKey is MFYVVLMXBBQEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)13-10-7-11(12-8-10)5-3-4-6-11/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene?
3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene has a molecular weight of 181.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-1-azaspiro[4.4]non-7-ene is sourced from PubChem (CID 176616418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).