1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane

C13H21NO — CID 91030491

IUPAC1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane
SMILESC=C1C(C)C1C1CC(C)CC(C)C1N=O
InChIInChI=1S/C13H21NO/c1-7-5-8(2)13(14-15)11(6-7)12-9(3)10(12)4/h7-8,10-13H,3,5-6H2,1-2,4H3
InChIKeyQUAHXVLWCHBUOK-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.63
Rot. Bonds2

About 1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane

1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane (PubChem CID 91030491) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane.

Molecular Properties

Compound Name1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane
PubChem CID91030491
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane
SMILESC=C1C(C)C1C1CC(C)CC(C)C1N=O
InChIInChI=1S/C13H21NO/c1-7-5-8(2)13(14-15)11(6-7)12-9(3)10(12)4/h7-8,10-13H,3,5-6H2,1-2,4H3
InChIKeyQUAHXVLWCHBUOK-UHFFFAOYSA-N
XLogP3.63
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.63
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 1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane?
The IUPAC name of 1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane (CID 91030491) is 1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane.
What is the SMILES notation for 1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane?
The canonical SMILES for 1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane is C=C1C(C)C1C1CC(C)CC(C)C1N=O.
What is the InChIKey of 1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane?
The InChIKey is QUAHXVLWCHBUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-7-5-8(2)13(14-15)11(6-7)12-9(3)10(12)4/h7-8,10-13H,3,5-6H2,1-2,4H3.
What are the key properties of 1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane?
1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane has a molecular weight of 207.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(2-methyl-3-methylidenecyclopropyl)-2-nitrosocyclohexane is sourced from PubChem (CID 91030491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).