5-amino-2-decylisoindole-1,3-dione

C18H26N2O2 — CID 132514130

IUPAC5-amino-2-decylisoindole-1,3-dione
SMILESCCCCCCCCCCN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-8-9-12-20-17(21)15-11-10-14(19)13-16(15)18(20)22/h10-11,13H,2-9,12,19H2,1H3
InChIKeyQHOIGYVOEZHSJP-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.01
Rot. Bonds9

About 5-amino-2-decylisoindole-1,3-dione

5-amino-2-decylisoindole-1,3-dione (PubChem CID 132514130) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-amino-2-decylisoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-decylisoindole-1,3-dione
PubChem CID132514130
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name5-amino-2-decylisoindole-1,3-dione
SMILESCCCCCCCCCCN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-8-9-12-20-17(21)15-11-10-14(19)13-16(15)18(20)22/h10-11,13H,2-9,12,19H2,1H3
InChIKeyQHOIGYVOEZHSJP-UHFFFAOYSA-N
XLogP4.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-decylisoindole-1,3-dione?
The IUPAC name of 5-amino-2-decylisoindole-1,3-dione (CID 132514130) is 5-amino-2-decylisoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-decylisoindole-1,3-dione?
The canonical SMILES for 5-amino-2-decylisoindole-1,3-dione is CCCCCCCCCCN1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-decylisoindole-1,3-dione?
The InChIKey is QHOIGYVOEZHSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-8-9-12-20-17(21)15-11-10-14(19)13-16(15)18(20)22/h10-11,13H,2-9,12,19H2,1H3.
What are the key properties of 5-amino-2-decylisoindole-1,3-dione?
5-amino-2-decylisoindole-1,3-dione has a molecular weight of 302.42 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-decylisoindole-1,3-dione is sourced from PubChem (CID 132514130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).