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

C7H11NO — CID 154111545

IUPAC1-(methylamino)cyclohexa-2,4-dien-1-ol
SMILESCNC1(O)C=CC=CC1
InChIInChI=1S/C7H11NO/c1-8-7(9)5-3-2-4-6-7/h2-5,8-9H,6H2,1H3
InChIKeyUQBSZQPFPDUJIR-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.41
Rot. Bonds1

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

1-(methylamino)cyclohexa-2,4-dien-1-ol (PubChem CID 154111545) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(methylamino)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(methylamino)cyclohexa-2,4-dien-1-ol
PubChem CID154111545
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(methylamino)cyclohexa-2,4-dien-1-ol
SMILESCNC1(O)C=CC=CC1
InChIInChI=1S/C7H11NO/c1-8-7(9)5-3-2-4-6-7/h2-5,8-9H,6H2,1H3
InChIKeyUQBSZQPFPDUJIR-UHFFFAOYSA-N
XLogP0.41
TPSA32.26 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 ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

c1-Aminophenol
CID 20474799
2-Hydroxypicoline
CID 68468748
4-Methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol
CID 170850534
2-prop-2-enyl-1H-pyridin-2-ol
CID 67378127
(2S)-2-methyl-1H-pyridin-2-ol
CID 69607434
1,5-Bis(methylamino)cyclohexa-2,4-dien-1-ol
CID 71431970
1,4-Bis(methylamino)cyclohexa-2,4-dien-1-ol
CID 86741550
(4R)-4-(methylamino)cyclohexa-1,5-dien-1-ol
CID 89234266
4-(Methylamino)cyclohexa-1,5-dien-1-ol
CID 118369981
1-(Butylamino)cyclohexa-2,4-dien-1-ol
CID 151053684
4-(Prop-1-ynylamino)cyclohexa-1,5-diene-1,4-diol
CID 151084962
4-Amino-4-(methylamino)cyclohexa-1,5-dien-1-ol
CID 152499040

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(methylamino)cyclohexa-2,4-dien-1-ol (CID 154111545) is 1-(methylamino)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(methylamino)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(methylamino)cyclohexa-2,4-dien-1-ol is CNC1(O)C=CC=CC1.
What is the InChIKey of 1-(methylamino)cyclohexa-2,4-dien-1-ol?
The InChIKey is UQBSZQPFPDUJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-7(9)5-3-2-4-6-7/h2-5,8-9H,6H2,1H3.
What are the key properties of 1-(methylamino)cyclohexa-2,4-dien-1-ol?
1-(methylamino)cyclohexa-2,4-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 154111545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).