6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one

C14H19N3O4 — CID 71789538

IUPAC6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CC3(COC(C)(C)OC3)C2)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-13(2)20-8-14(9-21-13)6-17(7-14)12(19)10-4-5-11(18)16(3)15-10/h4-5H,6-9H2,1-3H3
InChIKeyNHAYMWZMBWSHSA-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.01
Rot. Bonds1

About 6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one

6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one (PubChem CID 71789538) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one
PubChem CID71789538
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CC3(COC(C)(C)OC3)C2)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-13(2)20-8-14(9-21-13)6-17(7-14)12(19)10-4-5-11(18)16(3)15-10/h4-5H,6-9H2,1-3H3
InChIKeyNHAYMWZMBWSHSA-UHFFFAOYSA-N
XLogP0.01
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one (CID 71789538) is 6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CC3(COC(C)(C)OC3)C2)ccc1=O.
What is the InChIKey of 6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is NHAYMWZMBWSHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-13(2)20-8-14(9-21-13)6-17(7-14)12(19)10-4-5-11(18)16(3)15-10/h4-5H,6-9H2,1-3H3.
What are the key properties of 6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one?
6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 293.32 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 71789538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).