4-methyl-1,2-dinitrocyclopentane

C6H10N2O4 — CID 88534951

IUPAC4-methyl-1,2-dinitrocyclopentane
SMILESCC1CC([N+](=O)[O-])C([N+](=O)[O-])C1
InChIInChI=1S/C6H10N2O4/c1-4-2-5(7(9)10)6(3-4)8(11)12/h4-6H,2-3H2,1H3
InChIKeyFYLHABLZMCEUFS-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.71
Rot. Bonds2

About 4-methyl-1,2-dinitrocyclopentane

4-methyl-1,2-dinitrocyclopentane (PubChem CID 88534951) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 4-methyl-1,2-dinitrocyclopentane.

Molecular Properties

Compound Name4-methyl-1,2-dinitrocyclopentane
PubChem CID88534951
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name4-methyl-1,2-dinitrocyclopentane
SMILESCC1CC([N+](=O)[O-])C([N+](=O)[O-])C1
InChIInChI=1S/C6H10N2O4/c1-4-2-5(7(9)10)6(3-4)8(11)12/h4-6H,2-3H2,1H3
InChIKeyFYLHABLZMCEUFS-UHFFFAOYSA-N
XLogP0.71
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-dinitrocyclopentane?
The IUPAC name of 4-methyl-1,2-dinitrocyclopentane (CID 88534951) is 4-methyl-1,2-dinitrocyclopentane.
What is the SMILES notation for 4-methyl-1,2-dinitrocyclopentane?
The canonical SMILES for 4-methyl-1,2-dinitrocyclopentane is CC1CC([N+](=O)[O-])C([N+](=O)[O-])C1.
What is the InChIKey of 4-methyl-1,2-dinitrocyclopentane?
The InChIKey is FYLHABLZMCEUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-4-2-5(7(9)10)6(3-4)8(11)12/h4-6H,2-3H2,1H3.
What are the key properties of 4-methyl-1,2-dinitrocyclopentane?
4-methyl-1,2-dinitrocyclopentane has a molecular weight of 174.16 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-dinitrocyclopentane is sourced from PubChem (CID 88534951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).