8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one

C16H22N4O — CID 97449761

IUPAC8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one
SMILESC=CCN1CCC2(CCN(c3ccc(C)nn3)CC2)C1=O
InChIInChI=1S/C16H22N4O/c1-3-9-20-12-8-16(15(20)21)6-10-19(11-7-16)14-5-4-13(2)17-18-14/h3-5H,1,6-12H2,2H3
InChIKeyNNCNCFBHLUBPMG-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.79
Rot. Bonds3

About 8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one

8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449761) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449761
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one
SMILESC=CCN1CCC2(CCN(c3ccc(C)nn3)CC2)C1=O
InChIInChI=1S/C16H22N4O/c1-3-9-20-12-8-16(15(20)21)6-10-19(11-7-16)14-5-4-13(2)17-18-14/h3-5H,1,6-12H2,2H3
InChIKeyNNCNCFBHLUBPMG-UHFFFAOYSA-N
XLogP1.79
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97370217
(5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
CID 97393463
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
1'-(6-methylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155864804
8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one
CID 97370220
N,N-dimethyl-1-oxo-2-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 97370234
3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
CID 80670031
9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 131649510
3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97385532
1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine]
CID 97400065
(4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469671
1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56916374

Frequently Asked Questions

What is the IUPAC name of 8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one (CID 97449761) is 8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one is C=CCN1CCC2(CCN(c3ccc(C)nn3)CC2)C1=O.
What is the InChIKey of 8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NNCNCFBHLUBPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-9-20-12-8-16(15(20)21)6-10-19(11-7-16)14-5-4-13(2)17-18-14/h3-5H,1,6-12H2,2H3.
What are the key properties of 8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one?
8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 286.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).