2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide

C9H16N2O — CID 67475163

IUPAC2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide
SMILESC=C1C(C)C(C)CN1CC(N)=O
InChIInChI=1S/C9H16N2O/c1-6-4-11(5-9(10)12)8(3)7(6)2/h6-7H,3-5H2,1-2H3,(H2,10,12)
InChIKeyKOCUVGGOCJMXOJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.57
Rot. Bonds2

About 2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide

2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide (PubChem CID 67475163) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide
PubChem CID67475163
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide
SMILESC=C1C(C)C(C)CN1CC(N)=O
InChIInChI=1S/C9H16N2O/c1-6-4-11(5-9(10)12)8(3)7(6)2/h6-7H,3-5H2,1-2H3,(H2,10,12)
InChIKeyKOCUVGGOCJMXOJ-UHFFFAOYSA-N
XLogP0.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide?
The IUPAC name of 2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide (CID 67475163) is 2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide is C=C1C(C)C(C)CN1CC(N)=O.
What is the InChIKey of 2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide?
The InChIKey is KOCUVGGOCJMXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6-4-11(5-9(10)12)8(3)7(6)2/h6-7H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of 2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide?
2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-2-methylidenepyrrolidin-1-yl)acetamide is sourced from PubChem (CID 67475163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).