1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one

C16H29NO — CID 18710923

IUPAC1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
SMILESC=C(CCC)C(C)(C)CCC(C)N1CCCC1=O
InChIInChI=1S/C16H29NO/c1-6-8-13(2)16(4,5)11-10-14(3)17-12-7-9-15(17)18/h14H,2,6-12H2,1,3-5H3
InChIKeyDJBWMLAFSYBMGH-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.16
Rot. Bonds7

About 1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one

1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one (PubChem CID 18710923) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
PubChem CID18710923
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
SMILESC=C(CCC)C(C)(C)CCC(C)N1CCCC1=O
InChIInChI=1S/C16H29NO/c1-6-8-13(2)16(4,5)11-10-14(3)17-12-7-9-15(17)18/h14H,2,6-12H2,1,3-5H3
InChIKeyDJBWMLAFSYBMGH-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.16
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-[(2R,4S)-4-fluoro-2-prop-1-en-2-ylpyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 169835534
1-(5-Methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
CID 20657016
(3S)-1-ethyl-3-(3-methylbut-3-enyl)pyrrolidin-2-one
CID 54259302
1-(2,5-Dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one
CID 58032082
2-Methyl-8-methylidene-2-azaspiro[4.5]decan-3-one
CID 70648218
1-(3,3,6,6-Tetramethyloctan-4-yl)pyrrolidin-2-one
CID 70946591
1-(2,5,5-Trimethylhex-1-en-3-yl)pyrrolidin-2-one
CID 89386274
1-[[4-(4,4-Dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 90275489
1-Hexan-2-ylpyrrolidin-2-one;2-methylpent-1-ene
CID 91391399
3,3-Dimethyl-1-[2-(3-methylbut-1-en-2-yl)pyrrolidin-1-yl]butan-1-one
CID 134571113
1-(3,3-Dimethyl-2-methylideneoctyl)-5-methylidenepyrrolidin-2-one
CID 138566775
1-(3,3-Dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one
CID 139438344

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one (CID 18710923) is 1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one is C=C(CCC)C(C)(C)CCC(C)N1CCCC1=O.
What is the InChIKey of 1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one?
The InChIKey is DJBWMLAFSYBMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-6-8-13(2)16(4,5)11-10-14(3)17-12-7-9-15(17)18/h14H,2,6-12H2,1,3-5H3.
What are the key properties of 1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one?
1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one has a molecular weight of 251.41 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 18710923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).