3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene

C10H17NO — CID 20644760

IUPAC3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene
SMILESCC1=NOC2(CCCCCC2)C1
InChIInChI=1S/C10H17NO/c1-9-8-10(12-11-9)6-4-2-3-5-7-10/h2-8H2,1H3
InChIKeyZGSVWAMGKWTQAB-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.88
Rot. Bonds

About 3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene

3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene (PubChem CID 20644760) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene.

Molecular Properties

Compound Name3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene
PubChem CID20644760
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene
SMILESCC1=NOC2(CCCCCC2)C1
InChIInChI=1S/C10H17NO/c1-9-8-10(12-11-9)6-4-2-3-5-7-10/h2-8H2,1H3
InChIKeyZGSVWAMGKWTQAB-UHFFFAOYSA-N
XLogP2.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene?
The IUPAC name of 3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene (CID 20644760) is 3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene.
What is the SMILES notation for 3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene?
The canonical SMILES for 3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene is CC1=NOC2(CCCCCC2)C1.
What is the InChIKey of 3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene?
The InChIKey is ZGSVWAMGKWTQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-8-10(12-11-9)6-4-2-3-5-7-10/h2-8H2,1H3.
What are the key properties of 3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene?
3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene has a molecular weight of 167.25 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene is sourced from PubChem (CID 20644760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).