5-(dimethylamino)cyclohexa-1,3-dien-1-ol

C8H13NO — CID 138392229

IUPAC5-(dimethylamino)cyclohexa-1,3-dien-1-ol
SMILESCN(C)C1C=CC=C(O)C1
InChIInChI=1S/C8H13NO/c1-9(2)7-4-3-5-8(10)6-7/h3-5,7,10H,6H2,1-2H3
InChIKeyMJMAVOYZGVSLFE-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.32
Rot. Bonds1

About 5-(dimethylamino)cyclohexa-1,3-dien-1-ol

5-(dimethylamino)cyclohexa-1,3-dien-1-ol (PubChem CID 138392229) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-(dimethylamino)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-(dimethylamino)cyclohexa-1,3-dien-1-ol
PubChem CID138392229
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-(dimethylamino)cyclohexa-1,3-dien-1-ol
SMILESCN(C)C1C=CC=C(O)C1
InChIInChI=1S/C8H13NO/c1-9(2)7-4-3-5-8(10)6-7/h3-5,7,10H,6H2,1-2H3
InChIKeyMJMAVOYZGVSLFE-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol
CID 67857035
1-propan-2-yl-3,6-dihydro-2H-pyridin-4-ol
CID 68384112
4-(Dimethylamino)cyclohexa-1,5-dien-1-ol
CID 141786672
5-methoxy-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 141911562
2-[(Dimethylamino)methyl]cyclohexa-1,3-dien-1-ol
CID 145025621
2-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-ol
CID 176920906
1,2-diethyl-2H-pyridin-3-ol
CID 160789382

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-(dimethylamino)cyclohexa-1,3-dien-1-ol (CID 138392229) is 5-(dimethylamino)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-(dimethylamino)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-(dimethylamino)cyclohexa-1,3-dien-1-ol is CN(C)C1C=CC=C(O)C1.
What is the InChIKey of 5-(dimethylamino)cyclohexa-1,3-dien-1-ol?
The InChIKey is MJMAVOYZGVSLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9(2)7-4-3-5-8(10)6-7/h3-5,7,10H,6H2,1-2H3.
What are the key properties of 5-(dimethylamino)cyclohexa-1,3-dien-1-ol?
5-(dimethylamino)cyclohexa-1,3-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 138392229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).