4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione

C16H24N2O3 — CID 66690010

IUPAC4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione
SMILESC=CCCCCCCCCC(=O)N1C=CC(N)C(=O)C1=O
InChIInChI=1S/C16H24N2O3/c1-2-3-4-5-6-7-8-9-10-14(19)18-12-11-13(17)15(20)16(18)21/h2,11-13H,1,3-10,17H2
InChIKeyJVLOBOWRJSTACR-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.07
Rot. Bonds9

About 4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione

4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione (PubChem CID 66690010) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione.

Molecular Properties

Compound Name4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione
PubChem CID66690010
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione
SMILESC=CCCCCCCCCC(=O)N1C=CC(N)C(=O)C1=O
InChIInChI=1S/C16H24N2O3/c1-2-3-4-5-6-7-8-9-10-14(19)18-12-11-13(17)15(20)16(18)21/h2,11-13H,1,3-10,17H2
InChIKeyJVLOBOWRJSTACR-UHFFFAOYSA-N
XLogP2.07
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione?
The IUPAC name of 4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione (CID 66690010) is 4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione.
What is the SMILES notation for 4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione?
The canonical SMILES for 4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione is C=CCCCCCCCCC(=O)N1C=CC(N)C(=O)C1=O.
What is the InChIKey of 4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione?
The InChIKey is JVLOBOWRJSTACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-3-4-5-6-7-8-9-10-14(19)18-12-11-13(17)15(20)16(18)21/h2,11-13H,1,3-10,17H2.
What are the key properties of 4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione?
4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione has a molecular weight of 292.38 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-undec-10-enoyl-4H-pyridine-2,3-dione is sourced from PubChem (CID 66690010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).