1-(nonoxymethyl)pyrazolidin-3-one

C13H26N2O2 — CID 67924455

IUPAC1-(nonoxymethyl)pyrazolidin-3-one
SMILESCCCCCCCCCOCN1CCC(=O)N1
InChIInChI=1S/C13H26N2O2/c1-2-3-4-5-6-7-8-11-17-12-15-10-9-13(16)14-15/h2-12H2,1H3,(H,14,16)
InChIKeyBVYBWQCNOVSEIK-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.45
Rot. Bonds10

About 1-(nonoxymethyl)pyrazolidin-3-one

1-(nonoxymethyl)pyrazolidin-3-one (PubChem CID 67924455) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(nonoxymethyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(nonoxymethyl)pyrazolidin-3-one
PubChem CID67924455
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(nonoxymethyl)pyrazolidin-3-one
SMILESCCCCCCCCCOCN1CCC(=O)N1
InChIInChI=1S/C13H26N2O2/c1-2-3-4-5-6-7-8-11-17-12-15-10-9-13(16)14-15/h2-12H2,1H3,(H,14,16)
InChIKeyBVYBWQCNOVSEIK-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tetradecylpyrazolidin-3-one
CID 19868552
1-(hexoxymethyl)azepan-2-one
CID 15346510
1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 142290124
1-(5-butoxypentyl)piperidin-4-one
CID 18001872
1-(6-butoxyhexyl)piperidin-4-one
CID 70277022
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729

Frequently Asked Questions

What is the IUPAC name of 1-(nonoxymethyl)pyrazolidin-3-one?
The IUPAC name of 1-(nonoxymethyl)pyrazolidin-3-one (CID 67924455) is 1-(nonoxymethyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(nonoxymethyl)pyrazolidin-3-one?
The canonical SMILES for 1-(nonoxymethyl)pyrazolidin-3-one is CCCCCCCCCOCN1CCC(=O)N1.
What is the InChIKey of 1-(nonoxymethyl)pyrazolidin-3-one?
The InChIKey is BVYBWQCNOVSEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-3-4-5-6-7-8-11-17-12-15-10-9-13(16)14-15/h2-12H2,1H3,(H,14,16).
What are the key properties of 1-(nonoxymethyl)pyrazolidin-3-one?
1-(nonoxymethyl)pyrazolidin-3-one has a molecular weight of 242.36 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(nonoxymethyl)pyrazolidin-3-one is sourced from PubChem (CID 67924455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).