1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione

C14H24N2O2 — CID 146319785

IUPAC1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione
SMILESCCCCC(CCC)C(CN)N1C(=O)C=CC1=O
InChIInChI=1S/C14H24N2O2/c1-3-5-7-11(6-4-2)12(10-15)16-13(17)8-9-14(16)18/h8-9,11-12H,3-7,10,15H2,1-2H3
InChIKeyUOJOAGGMOBGUNY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.85
Rot. Bonds8

About 1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione

1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione (PubChem CID 146319785) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione
PubChem CID146319785
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione
SMILESCCCCC(CCC)C(CN)N1C(=O)C=CC1=O
InChIInChI=1S/C14H24N2O2/c1-3-5-7-11(6-4-2)12(10-15)16-13(17)8-9-14(16)18/h8-9,11-12H,3-7,10,15H2,1-2H3
InChIKeyUOJOAGGMOBGUNY-UHFFFAOYSA-N
XLogP1.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione (CID 146319785) is 1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione is CCCCC(CCC)C(CN)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione?
The InChIKey is UOJOAGGMOBGUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-5-7-11(6-4-2)12(10-15)16-13(17)8-9-14(16)18/h8-9,11-12H,3-7,10,15H2,1-2H3.
What are the key properties of 1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione?
1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-propylheptan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 146319785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).