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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Related Compounds

[(3S)-5,5-dimethyloxolan-3-yl]methanol
CID 10796767
(5,5-dimethyloxolan-3-yl)methanesulfonyl chloride
CID 131172408
4-(2,2-difluoropropyl)-2,2-dimethyloxolane
CID 143114832
(4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane
CID 175625697
(5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate
CID 163450308
O-[(5,5-dimethyloxolan-3-yl)methyl] propanethioate
CID 167102790
(2,2-dimethyloxan-4-yl)methanamine
CID 13202183
(5-amino-2,2-dimethyloxan-4-yl)methanol
CID 162343129
(5,5-dimethyloxolan-3-yl) ethanesulfonate
CID 172709984
(4R)-4-methoxy-2,2-dimethyloxolane
CID 118600677
(4S)-4-tert-butyl-2,2-dimethyloxolane
CID 59883974
N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
CID 19965226

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).