5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol

C18H25NO — CID 134118599

IUPAC5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol
SMILESC=CCN1CCCC2C1Cc1cc(O)ccc1C2(C)C
InChIInChI=1S/C18H25NO/c1-4-9-19-10-5-6-16-17(19)12-13-11-14(20)7-8-15(13)18(16,2)3/h4,7-8,11,16-17,20H,1,5-6,9-10,12H2,2-3H3
InChIKeyGUDOGSTVSSXQJV-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.49
Rot. Bonds2

About 5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol

5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol (PubChem CID 134118599) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol.

Molecular Properties

Compound Name5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol
PubChem CID134118599
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol
SMILESC=CCN1CCCC2C1Cc1cc(O)ccc1C2(C)C
InChIInChI=1S/C18H25NO/c1-4-9-19-10-5-6-16-17(19)12-13-11-14(20)7-8-15(13)18(16,2)3/h4,7-8,11,16-17,20H,1,5-6,9-10,12H2,2-3H3
InChIKeyGUDOGSTVSSXQJV-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol with MolForge

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Related Compounds

5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 21436185
(4aS,10aR)-5,5-dimethyl-1-(2-methylprop-2-enyl)-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 54447570
(4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 54496451
1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 21436194
(1S,9S,13S)-1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 3036222
(2R,3S)-2,3-dihydroxybutanedioic acid;(1S,9S,10S)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 6604125
(1S,13R)-1-ethyl-13-methyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 90674406
(1R,9R,10R)-16-(3-methylbut-2-enyl)-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol
CID 15177917
(1S,9S,10R)-17-[(E)-but-2-enyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrobromide
CID 6917043
(1S,9S,10R)-17-(4-methoxy-3-methylbut-2-enyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride
CID 22525236
(1R,9R,14R)-1,14-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 6602200
(1S,9S,14R)-1,14-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrochloride
CID 3040048

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol?
The IUPAC name of 5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol (CID 134118599) is 5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol.
What is the SMILES notation for 5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol?
The canonical SMILES for 5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol is C=CCN1CCCC2C1Cc1cc(O)ccc1C2(C)C.
What is the InChIKey of 5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol?
The InChIKey is GUDOGSTVSSXQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-9-19-10-5-6-16-17(19)12-13-11-14(20)7-8-15(13)18(16,2)3/h4,7-8,11,16-17,20H,1,5-6,9-10,12H2,2-3H3.
What are the key properties of 5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol?
5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol has a molecular weight of 271.40 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol is sourced from PubChem (CID 134118599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).