2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone

C10H15NO3 — CID 123866960

IUPAC2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone
SMILESCC1(C(=O)C(N=O)C2CC2(C)C)CO1
InChIInChI=1S/C10H15NO3/c1-9(2)4-6(9)7(11-13)8(12)10(3)5-14-10/h6-7H,4-5H2,1-3H3
InChIKeyIMFSUCXCFIKFKE-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.53
Rot. Bonds4

About 2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone

2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone (PubChem CID 123866960) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone
PubChem CID123866960
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone
SMILESCC1(C(=O)C(N=O)C2CC2(C)C)CO1
InChIInChI=1S/C10H15NO3/c1-9(2)4-6(9)7(11-13)8(12)10(3)5-14-10/h6-7H,4-5H2,1-3H3
InChIKeyIMFSUCXCFIKFKE-UHFFFAOYSA-N
XLogP1.53
TPSA59.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone (CID 123866960) is 2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone is CC1(C(=O)C(N=O)C2CC2(C)C)CO1.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone?
The InChIKey is IMFSUCXCFIKFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-9(2)4-6(9)7(11-13)8(12)10(3)5-14-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone?
2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone has a molecular weight of 197.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone is sourced from PubChem (CID 123866960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).