5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol

C17H23NO — CID 79738968

IUPAC5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol
SMILESCC1(C)CC(C2CCCc3cccnc32)=CC(O)C1
InChIInChI=1S/C17H23NO/c1-17(2)10-13(9-14(19)11-17)15-7-3-5-12-6-4-8-18-16(12)15/h4,6,8-9,14-15,19H,3,5,7,10-11H2,1-2H3
InChIKeyNZGHSOHUPXCYFT-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.61
Rot. Bonds1

About 5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol

5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol (PubChem CID 79738968) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol
PubChem CID79738968
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol
SMILESCC1(C)CC(C2CCCc3cccnc32)=CC(O)C1
InChIInChI=1S/C17H23NO/c1-17(2)10-13(9-14(19)11-17)15-7-3-5-12-6-4-8-18-16(12)15/h4,6,8-9,14-15,19H,3,5,7,10-11H2,1-2H3
InChIKeyNZGHSOHUPXCYFT-UHFFFAOYSA-N
XLogP3.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol with MolForge

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Related Compounds

(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one
CID 79737986
7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79738012
4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol
CID 83130051
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79740095
8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline
CID 116540409
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol?
The IUPAC name of 5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol (CID 79738968) is 5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol is CC1(C)CC(C2CCCc3cccnc32)=CC(O)C1.
What is the InChIKey of 5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol?
The InChIKey is NZGHSOHUPXCYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(2)10-13(9-14(19)11-17)15-7-3-5-12-6-4-8-18-16(12)15/h4,6,8-9,14-15,19H,3,5,7,10-11H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol?
5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol has a molecular weight of 257.38 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 79738968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).