3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine

C7H12N2O — CID 89005764

IUPAC3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine
SMILESC=C1N(C)C=COCN1C
InChIInChI=1S/C7H12N2O/c1-7-8(2)4-5-10-6-9(7)3/h4-5H,1,6H2,2-3H3
InChIKeyCZRFFTZODRTZHZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.78
Rot. Bonds

About 3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine

3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine (PubChem CID 89005764) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine.

Molecular Properties

Compound Name3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine
PubChem CID89005764
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine
SMILESC=C1N(C)C=COCN1C
InChIInChI=1S/C7H12N2O/c1-7-8(2)4-5-10-6-9(7)3/h4-5H,1,6H2,2-3H3
InChIKeyCZRFFTZODRTZHZ-UHFFFAOYSA-N
XLogP0.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine?
The IUPAC name of 3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine (CID 89005764) is 3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine.
What is the SMILES notation for 3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine?
The canonical SMILES for 3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine is C=C1N(C)C=COCN1C.
What is the InChIKey of 3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine?
The InChIKey is CZRFFTZODRTZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7-8(2)4-5-10-6-9(7)3/h4-5H,1,6H2,2-3H3.
What are the key properties of 3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine?
3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine has a molecular weight of 140.19 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-methylidene-2H-1,3,5-oxadiazepine is sourced from PubChem (CID 89005764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).