1-methyl-2-(1-methylcyclopropyl)benzene-5-ide

C11H13- — CID 59016185

IUPAC1-methyl-2-(1-methylcyclopropyl)benzene-5-ide
SMILESCc1c[c-]ccc1C1(C)CC1
InChIInChI=1S/C11H13/c1-9-5-3-4-6-10(9)11(2)7-8-11/h4-6H,7-8H2,1-2H3/q-1
InChIKeyOMBNQIKTQKKNJZ-UHFFFAOYSA-N
MW145.22 g/mol
LogP2.85
Rot. Bonds1

About 1-methyl-2-(1-methylcyclopropyl)benzene-5-ide

1-methyl-2-(1-methylcyclopropyl)benzene-5-ide (PubChem CID 59016185) has the molecular formula C11H13- and a molecular weight of 145.22 g/mol. Its IUPAC name is 1-methyl-2-(1-methylcyclopropyl)benzene-5-ide.

Molecular Properties

Compound Name1-methyl-2-(1-methylcyclopropyl)benzene-5-ide
PubChem CID59016185
Molecular FormulaC11H13-
Molecular Weight145.22 g/mol
Exact Mass145.10
IUPAC Name1-methyl-2-(1-methylcyclopropyl)benzene-5-ide
SMILESCc1c[c-]ccc1C1(C)CC1
InChIInChI=1S/C11H13/c1-9-5-3-4-6-10(9)11(2)7-8-11/h4-6H,7-8H2,1-2H3/q-1
InChIKeyOMBNQIKTQKKNJZ-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylcyclopropyl)benzene-5-ide?
The IUPAC name of 1-methyl-2-(1-methylcyclopropyl)benzene-5-ide (CID 59016185) is 1-methyl-2-(1-methylcyclopropyl)benzene-5-ide.
What is the SMILES notation for 1-methyl-2-(1-methylcyclopropyl)benzene-5-ide?
The canonical SMILES for 1-methyl-2-(1-methylcyclopropyl)benzene-5-ide is Cc1c[c-]ccc1C1(C)CC1.
What is the InChIKey of 1-methyl-2-(1-methylcyclopropyl)benzene-5-ide?
The InChIKey is OMBNQIKTQKKNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13/c1-9-5-3-4-6-10(9)11(2)7-8-11/h4-6H,7-8H2,1-2H3/q-1.
What are the key properties of 1-methyl-2-(1-methylcyclopropyl)benzene-5-ide?
1-methyl-2-(1-methylcyclopropyl)benzene-5-ide has a molecular weight of 145.22 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylcyclopropyl)benzene-5-ide is sourced from PubChem (CID 59016185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).