2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one

C10H19NO — CID 4629658

IUPAC2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCCC1
InChIInChI=1S/C10H19NO/c1-4-10(2,3)9(12)11-7-5-6-8-11/h4-8H2,1-3H3
InChIKeyWYSYSJDOYXAESQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.05
Rot. Bonds2

About 2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one

2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 4629658) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID4629658
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCCC1
InChIInChI=1S/C10H19NO/c1-4-10(2,3)9(12)11-7-5-6-8-11/h4-8H2,1-3H3
InChIKeyWYSYSJDOYXAESQ-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one (CID 4629658) is 2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one is CCC(C)(C)C(=O)N1CCCC1.
What is the InChIKey of 2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is WYSYSJDOYXAESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-10(2,3)9(12)11-7-5-6-8-11/h4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one?
2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 169.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 4629658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).