1,2,3,4,6,7,8,10b-octahydrophenanthridine

C13H17N — CID 57323299

IUPAC1,2,3,4,6,7,8,10b-octahydrophenanthridine
SMILESC1=CC2=C(CC1)CN=C1CCCCC12
InChIInChI=1S/C13H17N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h2,6,12H,1,3-5,7-9H2
InChIKeyXZHOEJGPGICPDY-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.28
Rot. Bonds

About 1,2,3,4,6,7,8,10b-octahydrophenanthridine

1,2,3,4,6,7,8,10b-octahydrophenanthridine (PubChem CID 57323299) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,10b-octahydrophenanthridine.

Molecular Properties

Compound Name1,2,3,4,6,7,8,10b-octahydrophenanthridine
PubChem CID57323299
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1,2,3,4,6,7,8,10b-octahydrophenanthridine
SMILESC1=CC2=C(CC1)CN=C1CCCCC12
InChIInChI=1S/C13H17N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h2,6,12H,1,3-5,7-9H2
InChIKeyXZHOEJGPGICPDY-UHFFFAOYSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,10b-octahydrophenanthridine?
The IUPAC name of 1,2,3,4,6,7,8,10b-octahydrophenanthridine (CID 57323299) is 1,2,3,4,6,7,8,10b-octahydrophenanthridine.
What is the SMILES notation for 1,2,3,4,6,7,8,10b-octahydrophenanthridine?
The canonical SMILES for 1,2,3,4,6,7,8,10b-octahydrophenanthridine is C1=CC2=C(CC1)CN=C1CCCCC12.
What is the InChIKey of 1,2,3,4,6,7,8,10b-octahydrophenanthridine?
The InChIKey is XZHOEJGPGICPDY-UHFFFAOYSA-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/h2,6,12H,1,3-5,7-9H2.
What are the key properties of 1,2,3,4,6,7,8,10b-octahydrophenanthridine?
1,2,3,4,6,7,8,10b-octahydrophenanthridine has a molecular weight of 187.29 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,10b-octahydrophenanthridine is sourced from PubChem (CID 57323299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).