6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal

C10H14N2O3 — CID 54016036

IUPAC6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal
SMILESNCCCCC(C=O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3/c11-6-2-1-3-8(7-13)12-9(14)4-5-10(12)15/h4-5,7-8H,1-3,6,11H2
InChIKeyZBFNNJKITQDHQC-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.39
Rot. Bonds6

About 6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal

6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal (PubChem CID 54016036) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal.

Molecular Properties

Compound Name6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal
PubChem CID54016036
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal
SMILESNCCCCC(C=O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3/c11-6-2-1-3-8(7-13)12-9(14)4-5-10(12)15/h4-5,7-8H,1-3,6,11H2
InChIKeyZBFNNJKITQDHQC-UHFFFAOYSA-N
XLogP-0.39
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal?
The IUPAC name of 6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal (CID 54016036) is 6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal.
What is the SMILES notation for 6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal?
The canonical SMILES for 6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal is NCCCCC(C=O)N1C(=O)C=CC1=O.
What is the InChIKey of 6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal?
The InChIKey is ZBFNNJKITQDHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-6-2-1-3-8(7-13)12-9(14)4-5-10(12)15/h4-5,7-8H,1-3,6,11H2.
What are the key properties of 6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal?
6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal has a molecular weight of 210.23 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2,5-dioxopyrrol-1-yl)hexanal is sourced from PubChem (CID 54016036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).