3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C11H17NO3 — CID 12926887

IUPAC3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(/C=N/OCC2CC2)C1C(=O)O
InChIInChI=1S/C11H17NO3/c1-11(2)8(9(11)10(13)14)5-12-15-6-7-3-4-7/h5,7-9H,3-4,6H2,1-2H3,(H,13,14)/b12-5+
InChIKeyBXRUQOMDWYYKSL-LFYBBSHMSA-N
MW211.26 g/mol
LogP1.76
Rot. Bonds5

About 3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 12926887) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID12926887
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(/C=N/OCC2CC2)C1C(=O)O
InChIInChI=1S/C11H17NO3/c1-11(2)8(9(11)10(13)14)5-12-15-6-7-3-4-7/h5,7-9H,3-4,6H2,1-2H3,(H,13,14)/b12-5+
InChIKeyBXRUQOMDWYYKSL-LFYBBSHMSA-N
XLogP1.76
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 12926887) is 3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(/C=N/OCC2CC2)C1C(=O)O.
What is the InChIKey of 3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is BXRUQOMDWYYKSL-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2)8(9(11)10(13)14)5-12-15-6-7-3-4-7/h5,7-9H,3-4,6H2,1-2H3,(H,13,14)/b12-5+.
What are the key properties of 3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 12926887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).