5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one

C14H19IN2O2 — CID 102899741

IUPAC5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one
SMILESO=c1cc(I)cnn1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H19IN2O2/c15-11-8-13(18)17(16-9-11)10-12-4-7-14(19-12)5-2-1-3-6-14/h8-9,12H,1-7,10H2
InChIKeySNHDJYDKOONZCU-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.73
Rot. Bonds2

About 5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one

5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one (PubChem CID 102899741) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is 5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one
PubChem CID102899741
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC Name5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one
SMILESO=c1cc(I)cnn1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H19IN2O2/c15-11-8-13(18)17(16-9-11)10-12-4-7-14(19-12)5-2-1-3-6-14/h8-9,12H,1-7,10H2
InChIKeySNHDJYDKOONZCU-UHFFFAOYSA-N
XLogP2.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one (CID 102899741) is 5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one is O=c1cc(I)cnn1CC1CCC2(CCCCC2)O1.
What is the InChIKey of 5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one?
The InChIKey is SNHDJYDKOONZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c15-11-8-13(18)17(16-9-11)10-12-4-7-14(19-12)5-2-1-3-6-14/h8-9,12H,1-7,10H2.
What are the key properties of 5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one?
5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one has a molecular weight of 374.22 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 102899741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).