6-(dimethylamino)cyclohexa-2,4-dien-1-ol

C8H13NO — CID 123274622

IUPAC6-(dimethylamino)cyclohexa-2,4-dien-1-ol
SMILESCN(C)C1C=CC=CC1O
InChIInChI=1S/C8H13NO/c1-9(2)7-5-3-4-6-8(7)10/h3-8,10H,1-2H3
InChIKeyPVFINNJUDAGZJT-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.40
Rot. Bonds1

About 6-(dimethylamino)cyclohexa-2,4-dien-1-ol

6-(dimethylamino)cyclohexa-2,4-dien-1-ol (PubChem CID 123274622) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-(dimethylamino)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(dimethylamino)cyclohexa-2,4-dien-1-ol
PubChem CID123274622
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-(dimethylamino)cyclohexa-2,4-dien-1-ol
SMILESCN(C)C1C=CC=CC1O
InChIInChI=1S/C8H13NO/c1-9(2)7-5-3-4-6-8(7)10/h3-8,10H,1-2H3
InChIKeyPVFINNJUDAGZJT-UHFFFAOYSA-N
XLogP0.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(dimethylamino)cyclohexa-2,4-dien-1-ol (CID 123274622) is 6-(dimethylamino)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(dimethylamino)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(dimethylamino)cyclohexa-2,4-dien-1-ol is CN(C)C1C=CC=CC1O.
What is the InChIKey of 6-(dimethylamino)cyclohexa-2,4-dien-1-ol?
The InChIKey is PVFINNJUDAGZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9(2)7-5-3-4-6-8(7)10/h3-8,10H,1-2H3.
What are the key properties of 6-(dimethylamino)cyclohexa-2,4-dien-1-ol?
6-(dimethylamino)cyclohexa-2,4-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 123274622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).