(6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium

C15H17N2Pr- — CID 59890630

IUPAC(6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium
SMILESC[C@H]1C[N-][C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1.[Pr]
InChIInChI=1S/C15H17N2.Pr/c1-9-5-12-11-3-2-4-13-15(11)10(8-17-13)6-14(12)16-7-9;/h2-4,8-9,12,14,17H,5-7H2,1H3;/q-1;/t9-,12-,14-;/m1./s1
InChIKeyOJGMUQFCRGSCRM-RIVLUAMXSA-N
MW366.22 g/mol
LogP3.59
Rot. Bonds

About (6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium

(6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium (PubChem CID 59890630) has the molecular formula C15H17N2Pr- and a molecular weight of 366.22 g/mol. Its IUPAC name is (6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium.

Molecular Properties

Compound Name(6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium
PubChem CID59890630
Molecular FormulaC15H17N2Pr-
Molecular Weight366.22 g/mol
Exact Mass366.05
IUPAC Name(6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium
SMILESC[C@H]1C[N-][C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1.[Pr]
InChIInChI=1S/C15H17N2.Pr/c1-9-5-12-11-3-2-4-13-15(11)10(8-17-13)6-14(12)16-7-9;/h2-4,8-9,12,14,17H,5-7H2,1H3;/q-1;/t9-,12-,14-;/m1./s1
InChIKeyOJGMUQFCRGSCRM-RIVLUAMXSA-N
XLogP3.59
TPSA29.89 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze (6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium?
The IUPAC name of (6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium (CID 59890630) is (6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium.
What is the SMILES notation for (6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium?
The canonical SMILES for (6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium is C[C@H]1C[N-][C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1.[Pr].
What is the InChIKey of (6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium?
The InChIKey is OJGMUQFCRGSCRM-RIVLUAMXSA-N. The full InChI is InChI=1S/C15H17N2.Pr/c1-9-5-12-11-3-2-4-13-15(11)10(8-17-13)6-14(12)16-7-9;/h2-4,8-9,12,14,17H,5-7H2,1H3;/q-1;/t9-,12-,14-;/m1./s1.
What are the key properties of (6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium?
(6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium has a molecular weight of 366.22 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R,10aR)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ide;praseodymium is sourced from PubChem (CID 59890630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).