3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene

C7H12N2O — CID 91362662

IUPAC3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCC1=NOC2(CCNC2)C1
InChIInChI=1S/C7H12N2O/c1-6-4-7(10-9-6)2-3-8-5-7/h8H,2-5H2,1H3
InChIKeyARHKWJFSJQTHPV-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.51
Rot. Bonds

About 3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene

3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene (PubChem CID 91362662) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
PubChem CID91362662
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCC1=NOC2(CCNC2)C1
InChIInChI=1S/C7H12N2O/c1-6-4-7(10-9-6)2-3-8-5-7/h8H,2-5H2,1H3
InChIKeyARHKWJFSJQTHPV-UHFFFAOYSA-N
XLogP0.51
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The IUPAC name of 3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene (CID 91362662) is 3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene.
What is the SMILES notation for 3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The canonical SMILES for 3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene is CC1=NOC2(CCNC2)C1.
What is the InChIKey of 3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The InChIKey is ARHKWJFSJQTHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6-4-7(10-9-6)2-3-8-5-7/h8H,2-5H2,1H3.
What are the key properties of 3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene has a molecular weight of 140.19 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene is sourced from PubChem (CID 91362662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).