4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one

C8H11NO2 — CID 163201001

IUPAC4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one
SMILESCC1NC(=O)OC12CC=CC2
InChIInChI=1S/C8H11NO2/c1-6-8(4-2-3-5-8)11-7(10)9-6/h2-3,6H,4-5H2,1H3,(H,9,10)
InChIKeyJNSFKIVMPRHJIX-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.20
Rot. Bonds

About 4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one

4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one (PubChem CID 163201001) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one.

Molecular Properties

Compound Name4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one
PubChem CID163201001
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one
SMILESCC1NC(=O)OC12CC=CC2
InChIInChI=1S/C8H11NO2/c1-6-8(4-2-3-5-8)11-7(10)9-6/h2-3,6H,4-5H2,1H3,(H,9,10)
InChIKeyJNSFKIVMPRHJIX-UHFFFAOYSA-N
XLogP1.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.20
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 4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one?
The IUPAC name of 4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one (CID 163201001) is 4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one.
What is the SMILES notation for 4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one?
The canonical SMILES for 4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one is CC1NC(=O)OC12CC=CC2.
What is the InChIKey of 4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one?
The InChIKey is JNSFKIVMPRHJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-8(4-2-3-5-8)11-7(10)9-6/h2-3,6H,4-5H2,1H3,(H,9,10).
What are the key properties of 4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one?
4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one has a molecular weight of 153.18 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxa-3-azaspiro[4.4]non-7-en-2-one is sourced from PubChem (CID 163201001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).