4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene

C10H15NO — CID 89202782

IUPAC4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene
SMILESCC1=CCC2(CN=O)CC2C1C
InChIInChI=1S/C10H15NO/c1-7-3-4-10(6-11-12)5-9(10)8(7)2/h3,8-9H,4-6H2,1-2H3
InChIKeyMLFZXOGZBDCEOQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.75
Rot. Bonds2

About 4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene

4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene (PubChem CID 89202782) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene
PubChem CID89202782
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene
SMILESCC1=CCC2(CN=O)CC2C1C
InChIInChI=1S/C10H15NO/c1-7-3-4-10(6-11-12)5-9(10)8(7)2/h3,8-9H,4-6H2,1-2H3
InChIKeyMLFZXOGZBDCEOQ-UHFFFAOYSA-N
XLogP2.75
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene?
The IUPAC name of 4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene (CID 89202782) is 4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for 4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene?
The canonical SMILES for 4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene is CC1=CCC2(CN=O)CC2C1C.
What is the InChIKey of 4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene?
The InChIKey is MLFZXOGZBDCEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-3-4-10(6-11-12)5-9(10)8(7)2/h3,8-9H,4-6H2,1-2H3.
What are the key properties of 4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene?
4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene has a molecular weight of 165.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-(nitrosomethyl)bicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 89202782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).