2,2-dimethyl-4-(nitrosomethyl)oxolane

C7H13NO2 — CID 163951788

IUPAC2,2-dimethyl-4-(nitrosomethyl)oxolane
SMILESCC1(C)CC(CN=O)CO1
InChIInChI=1S/C7H13NO2/c1-7(2)3-6(4-8-9)5-10-7/h6H,3-5H2,1-2H3
InChIKeyRZYJZXGQEDOGIB-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.57
Rot. Bonds2

About 2,2-dimethyl-4-(nitrosomethyl)oxolane

2,2-dimethyl-4-(nitrosomethyl)oxolane (PubChem CID 163951788) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2,2-dimethyl-4-(nitrosomethyl)oxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(nitrosomethyl)oxolane
PubChem CID163951788
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2,2-dimethyl-4-(nitrosomethyl)oxolane
SMILESCC1(C)CC(CN=O)CO1
InChIInChI=1S/C7H13NO2/c1-7(2)3-6(4-8-9)5-10-7/h6H,3-5H2,1-2H3
InChIKeyRZYJZXGQEDOGIB-UHFFFAOYSA-N
XLogP1.57
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(nitrosomethyl)oxolane?
The IUPAC name of 2,2-dimethyl-4-(nitrosomethyl)oxolane (CID 163951788) is 2,2-dimethyl-4-(nitrosomethyl)oxolane.
What is the SMILES notation for 2,2-dimethyl-4-(nitrosomethyl)oxolane?
The canonical SMILES for 2,2-dimethyl-4-(nitrosomethyl)oxolane is CC1(C)CC(CN=O)CO1.
What is the InChIKey of 2,2-dimethyl-4-(nitrosomethyl)oxolane?
The InChIKey is RZYJZXGQEDOGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)3-6(4-8-9)5-10-7/h6H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(nitrosomethyl)oxolane?
2,2-dimethyl-4-(nitrosomethyl)oxolane has a molecular weight of 143.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(nitrosomethyl)oxolane is sourced from PubChem (CID 163951788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).