4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol

C8H11NO — CID 123677955

IUPAC4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol
SMILESC/N=C/C1=CCC(O)C=C1
InChIInChI=1S/C8H11NO/c1-9-6-7-2-4-8(10)5-3-7/h2-4,6,8,10H,5H2,1H3/b9-6+
InChIKeyJTABCHQSQUCADD-RMKNXTFCSA-N
MW137.18 g/mol
LogP0.93
Rot. Bonds1

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

4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 123677955) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol
PubChem CID123677955
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol
SMILESC/N=C/C1=CCC(O)C=C1
InChIInChI=1S/C8H11NO/c1-9-6-7-2-4-8(10)5-3-7/h2-4,6,8,10H,5H2,1H3/b9-6+
InChIKeyJTABCHQSQUCADD-RMKNXTFCSA-N
XLogP0.93
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-Ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol
CID 91108021
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CID 129714247
(Z)-3-methylidene-6-methyliminohex-4-en-2-ol
CID 88267968
1-(2,3-Dihydropyridin-5-yl)propan-1-ol
CID 89150639
(4E,6Z)-4-methanimidoylocta-4,6-dien-3-ol
CID 89771739
1-(2,3-Dihydropyridin-5-yl)but-3-en-1-ol
CID 121327394
3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol
CID 123216176
3-Ethyl-2-[3-[2-(1-hydroxyethyl)cyclohexa-1,5-dien-1-yl]prop-2-enyliminomethyl]-4-prop-1-enylcyclohexa-2,4-dien-1-ol
CID 123256475
(4-Hydroxy-3-methylcyclohexa-1,5-dien-1-yl)methylidenecyanamide
CID 123530431
1-(2,3-Dihydropyridin-5-yl)ethanol
CID 123819393
2-(2-Hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol
CID 123912277
6-Butyliminocyclohexa-2,4-dien-1-ol
CID 141226253

Frequently Asked Questions

What is the IUPAC name of 4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol (CID 123677955) is 4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol is C/N=C/C1=CCC(O)C=C1.
What is the InChIKey of 4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is JTABCHQSQUCADD-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H11NO/c1-9-6-7-2-4-8(10)5-3-7/h2-4,6,8,10H,5H2,1H3/b9-6+.
What are the key properties of 4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol?
4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 137.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methyliminomethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 123677955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).