1H-1,8-phenanthrolin-2-one

C12H8N2O — CID 151551351

IUPAC1H-1,8-phenanthrolin-2-one
SMILESO=c1ccc2ccc3cnccc3c2[nH]1
InChIInChI=1S/C12H8N2O/c15-11-4-3-8-1-2-9-7-13-6-5-10(9)12(8)14-11/h1-7H,(H,14,15)
InChIKeyQAOBXCQDODKOIQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.08
Rot. Bonds

About 1H-1,8-phenanthrolin-2-one

1H-1,8-phenanthrolin-2-one (PubChem CID 151551351) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1H-1,8-phenanthrolin-2-one.

Molecular Properties

Compound Name1H-1,8-phenanthrolin-2-one
PubChem CID151551351
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name1H-1,8-phenanthrolin-2-one
SMILESO=c1ccc2ccc3cnccc3c2[nH]1
InChIInChI=1S/C12H8N2O/c15-11-4-3-8-1-2-9-7-13-6-5-10(9)12(8)14-11/h1-7H,(H,14,15)
InChIKeyQAOBXCQDODKOIQ-UHFFFAOYSA-N
XLogP2.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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1,7-dihydropyrrolo[2,3-h]quinolin-2-one
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CID 142239526
2H-pyrido[3,4-d]pyridazin-1-one
CID 10909714
15-(cyclobutadienyl)-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16)-hexaen-12-one
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6-chloro-5-nitroisoquinoline
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Frequently Asked Questions

What is the IUPAC name of 1H-1,8-phenanthrolin-2-one?
The IUPAC name of 1H-1,8-phenanthrolin-2-one (CID 151551351) is 1H-1,8-phenanthrolin-2-one.
What is the SMILES notation for 1H-1,8-phenanthrolin-2-one?
The canonical SMILES for 1H-1,8-phenanthrolin-2-one is O=c1ccc2ccc3cnccc3c2[nH]1.
What is the InChIKey of 1H-1,8-phenanthrolin-2-one?
The InChIKey is QAOBXCQDODKOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-11-4-3-8-1-2-9-7-13-6-5-10(9)12(8)14-11/h1-7H,(H,14,15).
What are the key properties of 1H-1,8-phenanthrolin-2-one?
1H-1,8-phenanthrolin-2-one has a molecular weight of 196.21 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,8-phenanthrolin-2-one is sourced from PubChem (CID 151551351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).