2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one

C13H17NO — CID 2306217

IUPAC2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one
SMILESO=c1[nH]c2c(c3c1CCCC3)CCCC2
InChIInChI=1S/C13H17NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H2,(H,14,15)
InChIKeyPIRYUTURFGWSAC-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.13
Rot. Bonds

About 2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one

2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one (PubChem CID 2306217) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one.

Molecular Properties

Compound Name2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one
PubChem CID2306217
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one
SMILESO=c1[nH]c2c(c3c1CCCC3)CCCC2
InChIInChI=1S/C13H17NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H2,(H,14,15)
InChIKeyPIRYUTURFGWSAC-UHFFFAOYSA-N
XLogP2.13
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one?
The IUPAC name of 2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one (CID 2306217) is 2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one.
What is the SMILES notation for 2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one?
The canonical SMILES for 2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one is O=c1[nH]c2c(c3c1CCCC3)CCCC2.
What is the InChIKey of 2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one?
The InChIKey is PIRYUTURFGWSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H2,(H,14,15).
What are the key properties of 2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one?
2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one has a molecular weight of 203.28 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one is sourced from PubChem (CID 2306217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).