4-methanimidoylcyclohex-3-en-1-ol

C7H11NO — CID 91033503

IUPAC4-methanimidoylcyclohex-3-en-1-ol
SMILES[H]/N=C/C1=CCC(O)CC1
InChIInChI=1S/C7H11NO/c8-5-6-1-3-7(9)4-2-6/h1,5,7-9H,2-4H2/b8-5+
InChIKeyZTOFIPRDRQGTKA-VMPITWQZSA-N
MW125.17 g/mol
LogP1.11
Rot. Bonds1

About 4-methanimidoylcyclohex-3-en-1-ol

4-methanimidoylcyclohex-3-en-1-ol (PubChem CID 91033503) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-methanimidoylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-methanimidoylcyclohex-3-en-1-ol
PubChem CID91033503
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-methanimidoylcyclohex-3-en-1-ol
SMILES[H]/N=C/C1=CCC(O)CC1
InChIInChI=1S/C7H11NO/c8-5-6-1-3-7(9)4-2-6/h1,5,7-9H,2-4H2/b8-5+
InChIKeyZTOFIPRDRQGTKA-VMPITWQZSA-N
XLogP1.11
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methanimidoylcyclohex-3-en-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

Related Compounds

(1R)-4-ethenylcyclohex-3-en-1-ol
CID 100956692
(1R)-4-methoxycyclohex-3-en-1-ol
CID 86316817
[(4R)-4-hydroxycyclohexen-1-yl]boronic acid
CID 124635727
4-(hydroxymethyl)cyclohex-3-en-1-ol
CID 130125298
4-hydroxycyclohexene-1-carboxylic acid
CID 45116548
4-(3,5-dimethylphenyl)cyclohex-3-en-1-ol
CID 142209258
(3Z)-4-methylcyclooct-3-en-1-ol
CID 23092761
3-amino-2-methanimidoylcyclohex-2-en-1-ol
CID 143567997
4-(2-hydroxypropyl)cyclohex-3-en-1-ol
CID 85404808
[(E)-(4-hydroxycyclohexen-1-yl)methylideneamino] tetracyclo[5.2.1.03,8.05,8]decane-3-carboxylate
CID 172919962
3-methanimidoyl-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 123685794
4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol
CID 141463405

Frequently Asked Questions

What is the IUPAC name of 4-methanimidoylcyclohex-3-en-1-ol?
The IUPAC name of 4-methanimidoylcyclohex-3-en-1-ol (CID 91033503) is 4-methanimidoylcyclohex-3-en-1-ol.
What is the SMILES notation for 4-methanimidoylcyclohex-3-en-1-ol?
The canonical SMILES for 4-methanimidoylcyclohex-3-en-1-ol is [H]/N=C/C1=CCC(O)CC1.
What is the InChIKey of 4-methanimidoylcyclohex-3-en-1-ol?
The InChIKey is ZTOFIPRDRQGTKA-VMPITWQZSA-N. The full InChI is InChI=1S/C7H11NO/c8-5-6-1-3-7(9)4-2-6/h1,5,7-9H,2-4H2/b8-5+.
What are the key properties of 4-methanimidoylcyclohex-3-en-1-ol?
4-methanimidoylcyclohex-3-en-1-ol has a molecular weight of 125.17 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoylcyclohex-3-en-1-ol is sourced from PubChem (CID 91033503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).