2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one

C20H33NO — CID 67135792

IUPAC2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one
SMILESC=C(CC(C)CC(=C)N1CC2(CCCCC2)CC1=O)C(C)C
InChIInChI=1S/C20H33NO/c1-15(2)17(4)11-16(3)12-18(5)21-14-20(13-19(21)22)9-7-6-8-10-20/h15-16H,4-14H2,1-3H3
InChIKeyRBUIXZZOVVEQSE-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.31
Rot. Bonds6

About 2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one

2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one (PubChem CID 67135792) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one
PubChem CID67135792
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one
SMILESC=C(CC(C)CC(=C)N1CC2(CCCCC2)CC1=O)C(C)C
InChIInChI=1S/C20H33NO/c1-15(2)17(4)11-16(3)12-18(5)21-14-20(13-19(21)22)9-7-6-8-10-20/h15-16H,4-14H2,1-3H3
InChIKeyRBUIXZZOVVEQSE-UHFFFAOYSA-N
XLogP5.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(Dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
CID 58041336
2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one
CID 67135790
2-(4-Methyl-6-methylidenenon-1-en-2-yl)-2-azaspiro[4.5]decan-3-one
CID 67135885
2-Methyl-8-methylidene-2-azaspiro[4.5]decan-3-one
CID 70648218
13-Ethyl-2,5,10-trimethyl-5-azatricyclo[7.7.0.02,6]hexadeca-6,12-dien-4-one
CID 123809226
1-Methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one
CID 126589429
(3R,4S,5S)-3-ethyl-5-methyl-4-[methyl(4-methylpent-1-en-2-yl)amino]-1-pyrrolidin-1-ylheptan-1-one
CID 132172407
3-tert-butyl-5-methylidene-1-[7-[(3S)-3-methylpyrrolidin-1-yl]-7-oxoheptyl]pyrrolidin-2-one
CID 134403418
2-(2-Methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one
CID 135212514
1-(3,3-Dimethyl-2-methylideneoctyl)-5-methylidenepyrrolidin-2-one
CID 138566775
1-Butyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one
CID 139456062
ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide
CID 145076925

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one (CID 67135792) is 2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one is C=C(CC(C)CC(=C)N1CC2(CCCCC2)CC1=O)C(C)C.
What is the InChIKey of 2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one?
The InChIKey is RBUIXZZOVVEQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-15(2)17(4)11-16(3)12-18(5)21-14-20(13-19(21)22)9-7-6-8-10-20/h15-16H,4-14H2,1-3H3.
What are the key properties of 2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one?
2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one has a molecular weight of 303.49 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 67135792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).