3-imino-2-phenylisoindol-1-one

C14H10N2O — CID 520688

IUPAC3-imino-2-phenylisoindol-1-one
SMILES[H]/N=C1\c2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C14H10N2O/c15-13-11-8-4-5-9-12(11)14(17)16(13)10-6-2-1-3-7-10/h1-9,15H/b15-13+
InChIKeyQEJRHIHNPZXIDK-FYWRMAATSA-N
MW222.25 g/mol
LogP2.67
Rot. Bonds1

About 3-imino-2-phenylisoindol-1-one

3-imino-2-phenylisoindol-1-one (PubChem CID 520688) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-imino-2-phenylisoindol-1-one.

Molecular Properties

Compound Name3-imino-2-phenylisoindol-1-one
PubChem CID520688
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name3-imino-2-phenylisoindol-1-one
SMILES[H]/N=C1\c2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C14H10N2O/c15-13-11-8-4-5-9-12(11)14(17)16(13)10-6-2-1-3-7-10/h1-9,15H/b15-13+
InChIKeyQEJRHIHNPZXIDK-FYWRMAATSA-N
XLogP2.67
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-2-phenylisoindol-1-one?
The IUPAC name of 3-imino-2-phenylisoindol-1-one (CID 520688) is 3-imino-2-phenylisoindol-1-one.
What is the SMILES notation for 3-imino-2-phenylisoindol-1-one?
The canonical SMILES for 3-imino-2-phenylisoindol-1-one is [H]/N=C1\c2ccccc2C(=O)N1c1ccccc1.
What is the InChIKey of 3-imino-2-phenylisoindol-1-one?
The InChIKey is QEJRHIHNPZXIDK-FYWRMAATSA-N. The full InChI is InChI=1S/C14H10N2O/c15-13-11-8-4-5-9-12(11)14(17)16(13)10-6-2-1-3-7-10/h1-9,15H/b15-13+.
What are the key properties of 3-imino-2-phenylisoindol-1-one?
3-imino-2-phenylisoindol-1-one has a molecular weight of 222.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2-phenylisoindol-1-one is sourced from PubChem (CID 520688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).