[3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate

C11H17NO3 — CID 173397512

IUPAC[3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate
SMILESCON=C(C)C=CC1C(OC=O)C1(C)C
InChIInChI=1S/C11H17NO3/c1-8(12-14-4)5-6-9-10(15-7-13)11(9,2)3/h5-7,9-10H,1-4H3
InChIKeyXRWONTIYITVDOM-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.76
Rot. Bonds5

About [3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate

[3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate (PubChem CID 173397512) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate.

Molecular Properties

Compound Name[3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate
PubChem CID173397512
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate
SMILESCON=C(C)C=CC1C(OC=O)C1(C)C
InChIInChI=1S/C11H17NO3/c1-8(12-14-4)5-6-9-10(15-7-13)11(9,2)3/h5-7,9-10H,1-4H3
InChIKeyXRWONTIYITVDOM-UHFFFAOYSA-N
XLogP1.76
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate?
The IUPAC name of [3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate (CID 173397512) is [3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate.
What is the SMILES notation for [3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate?
The canonical SMILES for [3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate is CON=C(C)C=CC1C(OC=O)C1(C)C.
What is the InChIKey of [3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate?
The InChIKey is XRWONTIYITVDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(12-14-4)5-6-9-10(15-7-13)11(9,2)3/h5-7,9-10H,1-4H3.
What are the key properties of [3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate?
[3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate has a molecular weight of 211.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate is sourced from PubChem (CID 173397512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).