(5E)-4-propyl-5-propylidenediazinane-3,6-dione

C10H16N2O2 — CID 144632147

IUPAC(5E)-4-propyl-5-propylidenediazinane-3,6-dione
SMILESCC/C=C1/C(=O)NNC(=O)C1CCC
InChIInChI=1S/C10H16N2O2/c1-3-5-7-8(6-4-2)10(14)12-11-9(7)13/h5,8H,3-4,6H2,1-2H3,(H,11,13)(H,12,14)/b7-5+
InChIKeyOLGVCKABXPPOPI-FNORWQNLSA-N
MW196.25 g/mol
LogP0.90
Rot. Bonds3

About (5E)-4-propyl-5-propylidenediazinane-3,6-dione

(5E)-4-propyl-5-propylidenediazinane-3,6-dione (PubChem CID 144632147) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (5E)-4-propyl-5-propylidenediazinane-3,6-dione.

Molecular Properties

Compound Name(5E)-4-propyl-5-propylidenediazinane-3,6-dione
PubChem CID144632147
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(5E)-4-propyl-5-propylidenediazinane-3,6-dione
SMILESCC/C=C1/C(=O)NNC(=O)C1CCC
InChIInChI=1S/C10H16N2O2/c1-3-5-7-8(6-4-2)10(14)12-11-9(7)13/h5,8H,3-4,6H2,1-2H3,(H,11,13)(H,12,14)/b7-5+
InChIKeyOLGVCKABXPPOPI-FNORWQNLSA-N
XLogP0.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-4-propyl-5-propylidenediazinane-3,6-dione?
The IUPAC name of (5E)-4-propyl-5-propylidenediazinane-3,6-dione (CID 144632147) is (5E)-4-propyl-5-propylidenediazinane-3,6-dione.
What is the SMILES notation for (5E)-4-propyl-5-propylidenediazinane-3,6-dione?
The canonical SMILES for (5E)-4-propyl-5-propylidenediazinane-3,6-dione is CC/C=C1/C(=O)NNC(=O)C1CCC.
What is the InChIKey of (5E)-4-propyl-5-propylidenediazinane-3,6-dione?
The InChIKey is OLGVCKABXPPOPI-FNORWQNLSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-7-8(6-4-2)10(14)12-11-9(7)13/h5,8H,3-4,6H2,1-2H3,(H,11,13)(H,12,14)/b7-5+.
What are the key properties of (5E)-4-propyl-5-propylidenediazinane-3,6-dione?
(5E)-4-propyl-5-propylidenediazinane-3,6-dione has a molecular weight of 196.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-propyl-5-propylidenediazinane-3,6-dione is sourced from PubChem (CID 144632147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).