(4Z)-4-nonylidenepyrazolidin-3-one

C12H22N2O — CID 88776444

IUPAC(4Z)-4-nonylidenepyrazolidin-3-one
SMILESCCCCCCCC/C=C1/CNNC1=O
InChIInChI=1S/C12H22N2O/c1-2-3-4-5-6-7-8-9-11-10-13-14-12(11)15/h9,13H,2-8,10H2,1H3,(H,14,15)/b11-9-
InChIKeyRDXQOGMHJNVJPL-LUAWRHEFSA-N
MW210.32 g/mol
LogP2.30
Rot. Bonds7

About (4Z)-4-nonylidenepyrazolidin-3-one

(4Z)-4-nonylidenepyrazolidin-3-one (PubChem CID 88776444) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (4Z)-4-nonylidenepyrazolidin-3-one.

Molecular Properties

Compound Name(4Z)-4-nonylidenepyrazolidin-3-one
PubChem CID88776444
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(4Z)-4-nonylidenepyrazolidin-3-one
SMILESCCCCCCCC/C=C1/CNNC1=O
InChIInChI=1S/C12H22N2O/c1-2-3-4-5-6-7-8-9-11-10-13-14-12(11)15/h9,13H,2-8,10H2,1H3,(H,14,15)/b11-9-
InChIKeyRDXQOGMHJNVJPL-LUAWRHEFSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.30
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-nonylidenepyrazolidin-3-one?
The IUPAC name of (4Z)-4-nonylidenepyrazolidin-3-one (CID 88776444) is (4Z)-4-nonylidenepyrazolidin-3-one.
What is the SMILES notation for (4Z)-4-nonylidenepyrazolidin-3-one?
The canonical SMILES for (4Z)-4-nonylidenepyrazolidin-3-one is CCCCCCCC/C=C1/CNNC1=O.
What is the InChIKey of (4Z)-4-nonylidenepyrazolidin-3-one?
The InChIKey is RDXQOGMHJNVJPL-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-4-5-6-7-8-9-11-10-13-14-12(11)15/h9,13H,2-8,10H2,1H3,(H,14,15)/b11-9-.
What are the key properties of (4Z)-4-nonylidenepyrazolidin-3-one?
(4Z)-4-nonylidenepyrazolidin-3-one has a molecular weight of 210.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-nonylidenepyrazolidin-3-one is sourced from PubChem (CID 88776444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).