(3Z)-3-pentylidenepiperazine-2,5-dione

C9H14N2O2 — CID 45099838

IUPAC(3Z)-3-pentylidenepiperazine-2,5-dione
SMILESCCCC/C=C1\NC(=O)CNC1=O
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-7-9(13)10-6-8(12)11-7/h5H,2-4,6H2,1H3,(H,10,13)(H,11,12)/b7-5-
InChIKeyAIEFJVCQQUSBJV-ALCCZGGFSA-N
MW182.22 g/mol
LogP0.31
Rot. Bonds3

About (3Z)-3-pentylidenepiperazine-2,5-dione

(3Z)-3-pentylidenepiperazine-2,5-dione (PubChem CID 45099838) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3Z)-3-pentylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name(3Z)-3-pentylidenepiperazine-2,5-dione
PubChem CID45099838
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(3Z)-3-pentylidenepiperazine-2,5-dione
SMILESCCCC/C=C1\NC(=O)CNC1=O
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-7-9(13)10-6-8(12)11-7/h5H,2-4,6H2,1H3,(H,10,13)(H,11,12)/b7-5-
InChIKeyAIEFJVCQQUSBJV-ALCCZGGFSA-N
XLogP0.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-pentylidenepiperazine-2,5-dione?
The IUPAC name of (3Z)-3-pentylidenepiperazine-2,5-dione (CID 45099838) is (3Z)-3-pentylidenepiperazine-2,5-dione.
What is the SMILES notation for (3Z)-3-pentylidenepiperazine-2,5-dione?
The canonical SMILES for (3Z)-3-pentylidenepiperazine-2,5-dione is CCCC/C=C1\NC(=O)CNC1=O.
What is the InChIKey of (3Z)-3-pentylidenepiperazine-2,5-dione?
The InChIKey is AIEFJVCQQUSBJV-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-4-5-7-9(13)10-6-8(12)11-7/h5H,2-4,6H2,1H3,(H,10,13)(H,11,12)/b7-5-.
What are the key properties of (3Z)-3-pentylidenepiperazine-2,5-dione?
(3Z)-3-pentylidenepiperazine-2,5-dione has a molecular weight of 182.22 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-pentylidenepiperazine-2,5-dione is sourced from PubChem (CID 45099838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).