(5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene

C8H13NO — CID 153151833

IUPAC(5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene
SMILESCC1=CCN[C@@]12CCOC2
InChIInChI=1S/C8H13NO/c1-7-2-4-9-8(7)3-5-10-6-8/h2,9H,3-6H2,1H3/t8-/m1/s1
InChIKeyWAQGFNRFNWFGHM-MRVPVSSYSA-N
MW139.20 g/mol
LogP0.69
Rot. Bonds

About (5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene

(5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene (PubChem CID 153151833) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name(5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene
PubChem CID153151833
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene
SMILESCC1=CCN[C@@]12CCOC2
InChIInChI=1S/C8H13NO/c1-7-2-4-9-8(7)3-5-10-6-8/h2,9H,3-6H2,1H3/t8-/m1/s1
InChIKeyWAQGFNRFNWFGHM-MRVPVSSYSA-N
XLogP0.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
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 (5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene?
The IUPAC name of (5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene (CID 153151833) is (5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene.
What is the SMILES notation for (5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene?
The canonical SMILES for (5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene is CC1=CCN[C@@]12CCOC2.
What is the InChIKey of (5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene?
The InChIKey is WAQGFNRFNWFGHM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-2-4-9-8(7)3-5-10-6-8/h2,9H,3-6H2,1H3/t8-/m1/s1.
What are the key properties of (5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene?
(5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene has a molecular weight of 139.20 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-methyl-7-oxa-1-azaspiro[4.4]non-3-ene is sourced from PubChem (CID 153151833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).