5,6-dihydro-4aH-phenanthridin-10-one

C13H11NO — CID 18187437

IUPAC5,6-dihydro-4aH-phenanthridin-10-one
SMILESO=C1C=CC=C2CNC3C=CC=CC3=C12
InChIInChI=1S/C13H11NO/c15-12-7-3-4-9-8-14-11-6-2-1-5-10(11)13(9)12/h1-7,11,14H,8H2
InChIKeyLGVACKNGZQCTDZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.45
Rot. Bonds

About 5,6-dihydro-4aH-phenanthridin-10-one

5,6-dihydro-4aH-phenanthridin-10-one (PubChem CID 18187437) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 5,6-dihydro-4aH-phenanthridin-10-one.

Molecular Properties

Compound Name5,6-dihydro-4aH-phenanthridin-10-one
PubChem CID18187437
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name5,6-dihydro-4aH-phenanthridin-10-one
SMILESO=C1C=CC=C2CNC3C=CC=CC3=C12
InChIInChI=1S/C13H11NO/c15-12-7-3-4-9-8-14-11-6-2-1-5-10(11)13(9)12/h1-7,11,14H,8H2
InChIKeyLGVACKNGZQCTDZ-UHFFFAOYSA-N
XLogP1.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4aH-phenanthridin-10-one?
The IUPAC name of 5,6-dihydro-4aH-phenanthridin-10-one (CID 18187437) is 5,6-dihydro-4aH-phenanthridin-10-one.
What is the SMILES notation for 5,6-dihydro-4aH-phenanthridin-10-one?
The canonical SMILES for 5,6-dihydro-4aH-phenanthridin-10-one is O=C1C=CC=C2CNC3C=CC=CC3=C12.
What is the InChIKey of 5,6-dihydro-4aH-phenanthridin-10-one?
The InChIKey is LGVACKNGZQCTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c15-12-7-3-4-9-8-14-11-6-2-1-5-10(11)13(9)12/h1-7,11,14H,8H2.
What are the key properties of 5,6-dihydro-4aH-phenanthridin-10-one?
5,6-dihydro-4aH-phenanthridin-10-one has a molecular weight of 197.24 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4aH-phenanthridin-10-one is sourced from PubChem (CID 18187437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).