5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one

C9H15NO — CID 59657422

IUPAC5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one
SMILESC=C1CCC(=O)N1CC(C)C
InChIInChI=1S/C9H15NO/c1-7(2)6-10-8(3)4-5-9(10)11/h7H,3-6H2,1-2H3
InChIKeyCDZZMGUCRWPLAG-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.78
Rot. Bonds2

About 5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one

5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 59657422) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID59657422
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one
SMILESC=C1CCC(=O)N1CC(C)C
InChIInChI=1S/C9H15NO/c1-7(2)6-10-8(3)4-5-9(10)11/h7H,3-6H2,1-2H3
InChIKeyCDZZMGUCRWPLAG-UHFFFAOYSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one (CID 59657422) is 5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one is C=C1CCC(=O)N1CC(C)C.
What is the InChIKey of 5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is CDZZMGUCRWPLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)6-10-8(3)4-5-9(10)11/h7H,3-6H2,1-2H3.
What are the key properties of 5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one?
5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 59657422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).