(2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde

C11H17NO2 — CID 88589862

IUPAC(2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde
SMILESCO/N=C1/C(C=O)CC2CC1C2(C)C
InChIInChI=1S/C11H17NO2/c1-11(2)8-4-7(6-13)10(12-14-3)9(11)5-8/h6-9H,4-5H2,1-3H3/b12-10-
InChIKeyGSFCEOWVSLLUPN-BENRWUELSA-N
MW195.26 g/mol
LogP1.87
Rot. Bonds2

About (2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde

(2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde (PubChem CID 88589862) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde.

Molecular Properties

Compound Name(2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde
PubChem CID88589862
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde
SMILESCO/N=C1/C(C=O)CC2CC1C2(C)C
InChIInChI=1S/C11H17NO2/c1-11(2)8-4-7(6-13)10(12-14-3)9(11)5-8/h6-9H,4-5H2,1-3H3/b12-10-
InChIKeyGSFCEOWVSLLUPN-BENRWUELSA-N
XLogP1.87
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde?
The IUPAC name of (2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde (CID 88589862) is (2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde.
What is the SMILES notation for (2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde?
The canonical SMILES for (2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde is CO/N=C1/C(C=O)CC2CC1C2(C)C.
What is the InChIKey of (2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde?
The InChIKey is GSFCEOWVSLLUPN-BENRWUELSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2)8-4-7(6-13)10(12-14-3)9(11)5-8/h6-9H,4-5H2,1-3H3/b12-10-.
What are the key properties of (2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde?
(2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde has a molecular weight of 195.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-6,6-dimethylbicyclo[3.1.1]heptane-3-carbaldehyde is sourced from PubChem (CID 88589862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).