[(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol

C16H20N2O — CID 14107782

IUPAC[(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
SMILESCN1C[C@H](CO)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21
InChIInChI=1S/C16H20N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,10-11,15,17,19H,6-9H2,1H3/t10-,11-,15-/m1/s1
InChIKeyYEUJZVSROBECPL-UEKVPHQBSA-N
MW256.35 g/mol
LogP1.91
Rot. Bonds1

About [(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol

[(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol (PubChem CID 14107782) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol.

Molecular Properties

Compound Name[(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
PubChem CID14107782
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
SMILESCN1C[C@H](CO)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21
InChIInChI=1S/C16H20N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,10-11,15,17,19H,6-9H2,1H3/t10-,11-,15-/m1/s1
InChIKeyYEUJZVSROBECPL-UEKVPHQBSA-N
XLogP1.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
The IUPAC name of [(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol (CID 14107782) is [(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol.
What is the SMILES notation for [(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
The canonical SMILES for [(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol is CN1C[C@H](CO)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21.
What is the InChIKey of [(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
The InChIKey is YEUJZVSROBECPL-UEKVPHQBSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,10-11,15,17,19H,6-9H2,1H3/t10-,11-,15-/m1/s1.
What are the key properties of [(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
[(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol has a molecular weight of 256.35 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol is sourced from PubChem (CID 14107782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).