2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one

C20H19NO2 — CID 23118687

IUPAC2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one
SMILESCC(=O)N1c2ccccc2-c2ccccc2C1C1CCCC1=O
InChIInChI=1S/C20H19NO2/c1-13(22)21-18-11-5-4-8-15(18)14-7-2-3-9-16(14)20(21)17-10-6-12-19(17)23/h2-5,7-9,11,17,20H,6,10,12H2,1H3
InChIKeyBFMITZWARLDGDX-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.13
Rot. Bonds1

About 2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one

2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one (PubChem CID 23118687) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one
PubChem CID23118687
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one
SMILESCC(=O)N1c2ccccc2-c2ccccc2C1C1CCCC1=O
InChIInChI=1S/C20H19NO2/c1-13(22)21-18-11-5-4-8-15(18)14-7-2-3-9-16(14)20(21)17-10-6-12-19(17)23/h2-5,7-9,11,17,20H,6,10,12H2,1H3
InChIKeyBFMITZWARLDGDX-UHFFFAOYSA-N
XLogP4.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one?
The IUPAC name of 2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one (CID 23118687) is 2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one?
The canonical SMILES for 2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one is CC(=O)N1c2ccccc2-c2ccccc2C1C1CCCC1=O.
What is the InChIKey of 2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one?
The InChIKey is BFMITZWARLDGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13(22)21-18-11-5-4-8-15(18)14-7-2-3-9-16(14)20(21)17-10-6-12-19(17)23/h2-5,7-9,11,17,20H,6,10,12H2,1H3.
What are the key properties of 2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one?
2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one has a molecular weight of 305.38 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one is sourced from PubChem (CID 23118687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).