methyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate

C9H15NO3 — CID 12040181

IUPACmethyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCO/N=C/C1C(C(=O)OC)C1(C)C
InChIInChI=1S/C9H15NO3/c1-9(2)6(5-10-13-4)7(9)8(11)12-3/h5-7H,1-4H3/b10-5+
InChIKeyCUWHBGSTWDTYPJ-BJMVGYQFSA-N
MW185.22 g/mol
LogP1.06
Rot. Bonds3

About methyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate

methyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 12040181) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID12040181
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCO/N=C/C1C(C(=O)OC)C1(C)C
InChIInChI=1S/C9H15NO3/c1-9(2)6(5-10-13-4)7(9)8(11)12-3/h5-7H,1-4H3/b10-5+
InChIKeyCUWHBGSTWDTYPJ-BJMVGYQFSA-N
XLogP1.06
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of methyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate (CID 12040181) is methyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate is CO/N=C/C1C(C(=O)OC)C1(C)C.
What is the InChIKey of methyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is CUWHBGSTWDTYPJ-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2)6(5-10-13-4)7(9)8(11)12-3/h5-7H,1-4H3/b10-5+.
What are the key properties of methyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate?
methyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 12040181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).