2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide

C12H22N2O — CID 67475165

IUPAC2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide
SMILESC=C1CC(CCC)CN1C(CC)C(N)=O
InChIInChI=1S/C12H22N2O/c1-4-6-10-7-9(3)14(8-10)11(5-2)12(13)15/h10-11H,3-8H2,1-2H3,(H2,13,15)
InChIKeyLVUZHRWERBQCQB-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.89
Rot. Bonds5

About 2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide

2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide (PubChem CID 67475165) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide
PubChem CID67475165
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide
SMILESC=C1CC(CCC)CN1C(CC)C(N)=O
InChIInChI=1S/C12H22N2O/c1-4-6-10-7-9(3)14(8-10)11(5-2)12(13)15/h10-11H,3-8H2,1-2H3,(H2,13,15)
InChIKeyLVUZHRWERBQCQB-UHFFFAOYSA-N
XLogP1.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide?
The IUPAC name of 2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide (CID 67475165) is 2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for 2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide?
The canonical SMILES for 2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide is C=C1CC(CCC)CN1C(CC)C(N)=O.
What is the InChIKey of 2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide?
The InChIKey is LVUZHRWERBQCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-6-10-7-9(3)14(8-10)11(5-2)12(13)15/h10-11H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide?
2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide has a molecular weight of 210.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidene-4-propylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 67475165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).