2-amino-3H-isoindol-1-one;prop-1-ene

C11H14N2O — CID 177026284

IUPAC2-amino-3H-isoindol-1-one;prop-1-ene
SMILESC=CC.NN1Cc2ccccc2C1=O
InChIInChI=1S/C8H8N2O.C3H6/c9-10-5-6-3-1-2-4-7(6)8(10)11;1-3-2/h1-4H,5,9H2;3H,1H2,2H3
InChIKeyZXWPVBIYIQRHOM-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.71
Rot. Bonds

About 2-amino-3H-isoindol-1-one;prop-1-ene

2-amino-3H-isoindol-1-one;prop-1-ene (PubChem CID 177026284) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-amino-3H-isoindol-1-one;prop-1-ene.

Molecular Properties

Compound Name2-amino-3H-isoindol-1-one;prop-1-ene
PubChem CID177026284
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-amino-3H-isoindol-1-one;prop-1-ene
SMILESC=CC.NN1Cc2ccccc2C1=O
InChIInChI=1S/C8H8N2O.C3H6/c9-10-5-6-3-1-2-4-7(6)8(10)11;1-3-2/h1-4H,5,9H2;3H,1H2,2H3
InChIKeyZXWPVBIYIQRHOM-UHFFFAOYSA-N
XLogP1.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3H-isoindol-1-one;prop-1-ene?
The IUPAC name of 2-amino-3H-isoindol-1-one;prop-1-ene (CID 177026284) is 2-amino-3H-isoindol-1-one;prop-1-ene.
What is the SMILES notation for 2-amino-3H-isoindol-1-one;prop-1-ene?
The canonical SMILES for 2-amino-3H-isoindol-1-one;prop-1-ene is C=CC.NN1Cc2ccccc2C1=O.
What is the InChIKey of 2-amino-3H-isoindol-1-one;prop-1-ene?
The InChIKey is ZXWPVBIYIQRHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.C3H6/c9-10-5-6-3-1-2-4-7(6)8(10)11;1-3-2/h1-4H,5,9H2;3H,1H2,2H3.
What are the key properties of 2-amino-3H-isoindol-1-one;prop-1-ene?
2-amino-3H-isoindol-1-one;prop-1-ene has a molecular weight of 190.25 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3H-isoindol-1-one;prop-1-ene is sourced from PubChem (CID 177026284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).