2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one

C11H21NO — CID 170767616

IUPAC2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCC(C)(C)C1C
InChIInChI=1S/C11H21NO/c1-8(2)10(13)12-7-6-11(4,5)9(12)3/h8-9H,6-7H2,1-5H3
InChIKeyDXYVKXSKXALALF-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds1

About 2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one

2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one (PubChem CID 170767616) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one
PubChem CID170767616
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCC(C)(C)C1C
InChIInChI=1S/C11H21NO/c1-8(2)10(13)12-7-6-11(4,5)9(12)3/h8-9H,6-7H2,1-5H3
InChIKeyDXYVKXSKXALALF-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one (CID 170767616) is 2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one is CC(C)C(=O)N1CCC(C)(C)C1C.
What is the InChIKey of 2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one?
The InChIKey is DXYVKXSKXALALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)10(13)12-7-6-11(4,5)9(12)3/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one?
2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 170767616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).