2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one

C9H17NO — CID 57387561

IUPAC2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCNC1
InChIInChI=1S/C9H17NO/c1-9(2,3)8(11)7-4-5-10-6-7/h7,10H,4-6H2,1-3H3
InChIKeyAAQIEGBSVWXMKL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.21
Rot. Bonds1

About 2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one

2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one (PubChem CID 57387561) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one
PubChem CID57387561
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCNC1
InChIInChI=1S/C9H17NO/c1-9(2,3)8(11)7-4-5-10-6-7/h7,10H,4-6H2,1-3H3
InChIKeyAAQIEGBSVWXMKL-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one (CID 57387561) is 2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one is CC(C)(C)C(=O)C1CCNC1.
What is the InChIKey of 2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one?
The InChIKey is AAQIEGBSVWXMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2,3)8(11)7-4-5-10-6-7/h7,10H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one?
2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyrrolidin-3-ylpropan-1-one is sourced from PubChem (CID 57387561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).