3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one

C17H30N2O — CID 20768152

IUPAC3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
SMILESC=C1CC(C)C(=O)N1CC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C17H30N2O/c1-12-8-13(2)19(15(12)20)11-14-9-16(3,4)18(7)17(5,6)10-14/h12,14H,2,8-11H2,1,3-7H3
InChIKeyCUMFYPJCETWZIM-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.27
Rot. Bonds2

About 3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one

3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one (PubChem CID 20768152) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
PubChem CID20768152
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
SMILESC=C1CC(C)C(=O)N1CC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C17H30N2O/c1-12-8-13(2)19(15(12)20)11-14-9-16(3,4)18(7)17(5,6)10-14/h12,14H,2,8-11H2,1,3-7H3
InChIKeyCUMFYPJCETWZIM-UHFFFAOYSA-N
XLogP3.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one (CID 20768152) is 3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one is C=C1CC(C)C(=O)N1CC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is CUMFYPJCETWZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12-8-13(2)19(15(12)20)11-14-9-16(3,4)18(7)17(5,6)10-14/h12,14H,2,8-11H2,1,3-7H3.
What are the key properties of 3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one?
3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 278.44 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 20768152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).