4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol

C11H15NO — CID 162219109

IUPAC4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol
SMILESC/N=C/C1(C2=CCC(O)C=C2)CC1
InChIInChI=1S/C11H15NO/c1-12-8-11(6-7-11)9-2-4-10(13)5-3-9/h2-4,8,10,13H,5-7H2,1H3/b12-8+
InChIKeyZTWMIESBEUHHNB-XYOKQWHBSA-N
MW177.25 g/mol
LogP1.71
Rot. Bonds2

About 4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol

4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol (PubChem CID 162219109) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol
PubChem CID162219109
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol
SMILESC/N=C/C1(C2=CCC(O)C=C2)CC1
InChIInChI=1S/C11H15NO/c1-12-8-11(6-7-11)9-2-4-10(13)5-3-9/h2-4,8,10,13H,5-7H2,1H3/b12-8+
InChIKeyZTWMIESBEUHHNB-XYOKQWHBSA-N
XLogP1.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol 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 4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol (CID 162219109) is 4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol is C/N=C/C1(C2=CCC(O)C=C2)CC1.
What is the InChIKey of 4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol?
The InChIKey is ZTWMIESBEUHHNB-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15NO/c1-12-8-11(6-7-11)9-2-4-10(13)5-3-9/h2-4,8,10,13H,5-7H2,1H3/b12-8+.
What are the key properties of 4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol?
4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol has a molecular weight of 177.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 162219109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).