(6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine

C13H17N — CID 100962245

IUPAC(6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine
SMILESc1ccc2c(c1)NC[C@@H]1CCCC[C@H]21
InChIInChI=1S/C13H17N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h3-4,7-8,10-11,14H,1-2,5-6,9H2/t10-,11-/m0/s1
InChIKeyFVYMIIXEOZUDRL-QWRGUYRKSA-N
MW187.29 g/mol
LogP3.39
Rot. Bonds

About (6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine

(6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine (PubChem CID 100962245) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine.

Molecular Properties

Compound Name(6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine
PubChem CID100962245
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine
SMILESc1ccc2c(c1)NC[C@@H]1CCCC[C@H]21
InChIInChI=1S/C13H17N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h3-4,7-8,10-11,14H,1-2,5-6,9H2/t10-,11-/m0/s1
InChIKeyFVYMIIXEOZUDRL-QWRGUYRKSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine?
The IUPAC name of (6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine (CID 100962245) is (6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine.
What is the SMILES notation for (6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine?
The canonical SMILES for (6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine is c1ccc2c(c1)NC[C@@H]1CCCC[C@H]21.
What is the InChIKey of (6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine?
The InChIKey is FVYMIIXEOZUDRL-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H17N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h3-4,7-8,10-11,14H,1-2,5-6,9H2/t10-,11-/m0/s1.
What are the key properties of (6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine?
(6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine has a molecular weight of 187.29 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine is sourced from PubChem (CID 100962245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).