3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C18H30N4O2 — CID 45180938

IUPAC3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)(C)CN1CCCC2(CCN(C(=O)C3=NNC(=O)CC3)C2)C1
InChIInChI=1S/C18H30N4O2/c1-17(2,3)11-21-9-4-7-18(12-21)8-10-22(13-18)16(24)14-5-6-15(23)20-19-14/h4-13H2,1-3H3,(H,20,23)
InChIKeyUYSNCIRXAYXJIO-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.61
Rot. Bonds2

About 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 45180938) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID45180938
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)(C)CN1CCCC2(CCN(C(=O)C3=NNC(=O)CC3)C2)C1
InChIInChI=1S/C18H30N4O2/c1-17(2,3)11-21-9-4-7-18(12-21)8-10-22(13-18)16(24)14-5-6-15(23)20-19-14/h4-13H2,1-3H3,(H,20,23)
InChIKeyUYSNCIRXAYXJIO-UHFFFAOYSA-N
XLogP1.61
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one with MolForge

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Related Compounds

[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 45229581
3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 103745686
3-(4-hydroxy-4-methylazepane-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 107406289
(6S)-8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97285245
3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43397830
[(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 95728447
1-[3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]azepan-2-one
CID 45201205
4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid
CID 63123691
7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996258
3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 61245068
3-(4-butanoyl-1,4-diazepane-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110805956
2-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
CID 90140966

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 45180938) is 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is CC(C)(C)CN1CCCC2(CCN(C(=O)C3=NNC(=O)CC3)C2)C1.
What is the InChIKey of 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is UYSNCIRXAYXJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-17(2,3)11-21-9-4-7-18(12-21)8-10-22(13-18)16(24)14-5-6-15(23)20-19-14/h4-13H2,1-3H3,(H,20,23).
What are the key properties of 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 334.46 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 45180938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).