1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol

C20H23NO — CID 143018028

IUPAC1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol
SMILESC=C(O)C1NC2CC(C3=CC=CCC3)=CC=C2C2C=CCC21
InChIInChI=1S/C20H23NO/c1-13(22)20-18-9-5-8-16(18)17-11-10-15(12-19(17)21-20)14-6-3-2-4-7-14/h2-3,5-6,8,10-11,16,18-22H,1,4,7,9,12H2
InChIKeyNVPGCHSLASUCLB-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.12
Rot. Bonds2

About 1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol

1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol (PubChem CID 143018028) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol.

Molecular Properties

Compound Name1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol
PubChem CID143018028
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol
SMILESC=C(O)C1NC2CC(C3=CC=CCC3)=CC=C2C2C=CCC21
InChIInChI=1S/C20H23NO/c1-13(22)20-18-9-5-8-16(18)17-11-10-15(12-19(17)21-20)14-6-3-2-4-7-14/h2-3,5-6,8,10-11,16,18-22H,1,4,7,9,12H2
InChIKeyNVPGCHSLASUCLB-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol with MolForge

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Related Compounds

7-Hydroxy-octahydrobenzo[f]quinoline
CID 129827408
1,2,3,4,4a,5,6,6a-Octahydrobenzo[f]quinolin-10-ol
CID 67195111
(4aR)-2-[(4S)-4-(methylamino)cyclohexa-1,5-dien-1-yl]-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-ol
CID 89789385
(4aR,8aS)-2-(4-aminocyclohexa-1,5-dien-1-yl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-ol
CID 118178720
2-(1,5,6,8a-Tetrahydronaphthalen-1-yl)-2-piperazin-1-ylethanol
CID 123188924
1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol
CID 138485561
2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol
CID 143126491
(4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol
CID 149434879
1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol
CID 155141440
(1R)-1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol
CID 155698705
5-Butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol
CID 175444228

Frequently Asked Questions

What is the IUPAC name of 1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol?
The IUPAC name of 1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol (CID 143018028) is 1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol.
What is the SMILES notation for 1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol?
The canonical SMILES for 1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol is C=C(O)C1NC2CC(C3=CC=CCC3)=CC=C2C2C=CCC21.
What is the InChIKey of 1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol?
The InChIKey is NVPGCHSLASUCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-13(22)20-18-9-5-8-16(18)17-11-10-15(12-19(17)21-20)14-6-3-2-4-7-14/h2-3,5-6,8,10-11,16,18-22H,1,4,7,9,12H2.
What are the key properties of 1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol?
1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol has a molecular weight of 293.41 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-cyclohexa-1,3-dien-1-yl-3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-yl)ethenol is sourced from PubChem (CID 143018028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).