5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol

C20H29NO — CID 21436185

IUPAC5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
SMILESC=CCN1CCCC2C1Cc1ccc(O)cc1C2(CC)CC
InChIInChI=1S/C20H29NO/c1-4-11-21-12-7-8-17-19(21)13-15-9-10-16(22)14-18(15)20(17,5-2)6-3/h4,9-10,14,17,19,22H,1,5-8,11-13H2,2-3H3
InChIKeyTZACVGFGFGHYPI-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.27
Rot. Bonds4

About 5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol

5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol (PubChem CID 21436185) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol.

Molecular Properties

Compound Name5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
PubChem CID21436185
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
SMILESC=CCN1CCCC2C1Cc1ccc(O)cc1C2(CC)CC
InChIInChI=1S/C20H29NO/c1-4-11-21-12-7-8-17-19(21)13-15-9-10-16(22)14-18(15)20(17,5-2)6-3/h4,9-10,14,17,19,22H,1,5-8,11-13H2,2-3H3
InChIKeyTZACVGFGFGHYPI-UHFFFAOYSA-N
XLogP4.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol?
The IUPAC name of 5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol (CID 21436185) is 5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol.
What is the SMILES notation for 5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol?
The canonical SMILES for 5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol is C=CCN1CCCC2C1Cc1ccc(O)cc1C2(CC)CC.
What is the InChIKey of 5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol?
The InChIKey is TZACVGFGFGHYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-4-11-21-12-7-8-17-19(21)13-15-9-10-16(22)14-18(15)20(17,5-2)6-3/h4,9-10,14,17,19,22H,1,5-8,11-13H2,2-3H3.
What are the key properties of 5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol?
5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol has a molecular weight of 299.46 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol is sourced from PubChem (CID 21436185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).