(5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline

C16H18N2 — CID 14107786

IUPAC(5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline
SMILESC=C1C=C2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1
InChIInChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,11,15,17H,1,7-9H2,2H3/t11-,15-/m1/s1
InChIKeyWKWHXIUYPMGHGJ-IAQYHMDHSA-N
MW238.33 g/mol
LogP2.85
Rot. Bonds

About (5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline

(5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline (PubChem CID 14107786) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline
PubChem CID14107786
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline
SMILESC=C1C=C2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1
InChIInChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,11,15,17H,1,7-9H2,2H3/t11-,15-/m1/s1
InChIKeyWKWHXIUYPMGHGJ-IAQYHMDHSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline with MolForge

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Related Compounds

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2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole dihydrochloride
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CID 108089
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CID 44431763
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CID 44326468

Frequently Asked Questions

What is the IUPAC name of (5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline?
The IUPAC name of (5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline (CID 14107786) is (5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline.
What is the SMILES notation for (5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline?
The canonical SMILES for (5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline is C=C1C=C2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1.
What is the InChIKey of (5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline?
The InChIKey is WKWHXIUYPMGHGJ-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,11,15,17H,1,7-9H2,2H3/t11-,15-/m1/s1.
What are the key properties of (5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline?
(5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline has a molecular weight of 238.33 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,6aR)-7-methyl-9-methylidene-4,5,5a,6,6a,8-hexahydroindolo[4,3-fg]quinoline is sourced from PubChem (CID 14107786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).