4-(methylamino)cyclohexa-1,5-dien-1-ol

C7H11NO — CID 118369981

IUPAC4-(methylamino)cyclohexa-1,5-dien-1-ol
SMILESCNC1C=CC(O)=CC1
InChIInChI=1S/C7H11NO/c1-8-6-2-4-7(9)5-3-6/h2,4-6,8-9H,3H2,1H3
InChIKeyULWMXLYYQRNUNA-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.98
Rot. Bonds1

About 4-(methylamino)cyclohexa-1,5-dien-1-ol

4-(methylamino)cyclohexa-1,5-dien-1-ol (PubChem CID 118369981) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-(methylamino)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-(methylamino)cyclohexa-1,5-dien-1-ol
PubChem CID118369981
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-(methylamino)cyclohexa-1,5-dien-1-ol
SMILESCNC1C=CC(O)=CC1
InChIInChI=1S/C7H11NO/c1-8-6-2-4-7(9)5-3-6/h2,4-6,8-9H,3H2,1H3
InChIKeyULWMXLYYQRNUNA-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-(methylamino)cyclohexa-1,5-dien-1-ol (CID 118369981) is 4-(methylamino)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-(methylamino)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-(methylamino)cyclohexa-1,5-dien-1-ol is CNC1C=CC(O)=CC1.
What is the InChIKey of 4-(methylamino)cyclohexa-1,5-dien-1-ol?
The InChIKey is ULWMXLYYQRNUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-6-2-4-7(9)5-3-6/h2,4-6,8-9H,3H2,1H3.
What are the key properties of 4-(methylamino)cyclohexa-1,5-dien-1-ol?
4-(methylamino)cyclohexa-1,5-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 118369981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).