(6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C20H21NO — CID 46180192

IUPAC(6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESC=CCOc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3
InChIInChI=1S/C20H21NO/c1-3-12-22-18-9-5-7-15-13-17-19-14(10-11-21(17)2)6-4-8-16(19)20(15)18/h3-9,17H,1,10-13H2,2H3/t17-/m1/s1
InChIKeyPPQOXJFDECRPBT-QGZVFWFLSA-N
MW291.39 g/mol
LogP4.00
Rot. Bonds3

About (6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

(6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 46180192) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name(6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID46180192
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESC=CCOc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3
InChIInChI=1S/C20H21NO/c1-3-12-22-18-9-5-7-15-13-17-19-14(10-11-21(17)2)6-4-8-16(19)20(15)18/h3-9,17H,1,10-13H2,2H3/t17-/m1/s1
InChIKeyPPQOXJFDECRPBT-QGZVFWFLSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
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 (6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of (6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 46180192) is (6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for (6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for (6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is C=CCOc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3.
What is the InChIKey of (6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is PPQOXJFDECRPBT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21NO/c1-3-12-22-18-9-5-7-15-13-17-19-14(10-11-21(17)2)6-4-8-16(19)20(15)18/h3-9,17H,1,10-13H2,2H3/t17-/m1/s1.
What are the key properties of (6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
(6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 291.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 46180192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).