3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C9H16N2O — CID 642427

IUPAC3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCN(C)CC2)C1
InChIInChI=1S/C9H16N2O/c1-8-7-9(12-10-8)3-5-11(2)6-4-9/h3-7H2,1-2H3
InChIKeyNINLQTZTTDNQRO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.25
Rot. Bonds

About 3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 642427) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID642427
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCN(C)CC2)C1
InChIInChI=1S/C9H16N2O/c1-8-7-9(12-10-8)3-5-11(2)6-4-9/h3-7H2,1-2H3
InChIKeyNINLQTZTTDNQRO-UHFFFAOYSA-N
XLogP1.25
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 642427) is 3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CC1=NOC2(CCN(C)CC2)C1.
What is the InChIKey of 3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is NINLQTZTTDNQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8-7-9(12-10-8)3-5-11(2)6-4-9/h3-7H2,1-2H3.
What are the key properties of 3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 168.24 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 642427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).