2-amino-6aH-phenanthridin-6-one

C13H10N2O — CID 45024318

IUPAC2-amino-6aH-phenanthridin-6-one
SMILESNc1ccc2c(c1)=C1C=CC=CC1C(=O)N=2
InChIInChI=1S/C13H10N2O/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(16)15-12/h1-7,10H,14H2
InChIKeyWWMLJWIUCBUSHG-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.32
Rot. Bonds

About 2-amino-6aH-phenanthridin-6-one

2-amino-6aH-phenanthridin-6-one (PubChem CID 45024318) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-amino-6aH-phenanthridin-6-one.

Molecular Properties

Compound Name2-amino-6aH-phenanthridin-6-one
PubChem CID45024318
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name2-amino-6aH-phenanthridin-6-one
SMILESNc1ccc2c(c1)=C1C=CC=CC1C(=O)N=2
InChIInChI=1S/C13H10N2O/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(16)15-12/h1-7,10H,14H2
InChIKeyWWMLJWIUCBUSHG-UHFFFAOYSA-N
XLogP0.32
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6aH-phenanthridin-6-one?
The IUPAC name of 2-amino-6aH-phenanthridin-6-one (CID 45024318) is 2-amino-6aH-phenanthridin-6-one.
What is the SMILES notation for 2-amino-6aH-phenanthridin-6-one?
The canonical SMILES for 2-amino-6aH-phenanthridin-6-one is Nc1ccc2c(c1)=C1C=CC=CC1C(=O)N=2.
What is the InChIKey of 2-amino-6aH-phenanthridin-6-one?
The InChIKey is WWMLJWIUCBUSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(16)15-12/h1-7,10H,14H2.
What are the key properties of 2-amino-6aH-phenanthridin-6-one?
2-amino-6aH-phenanthridin-6-one has a molecular weight of 210.24 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6aH-phenanthridin-6-one is sourced from PubChem (CID 45024318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).