1-(3-tert-butylpyrrolidin-1-yl)propan-2-one

C11H21NO — CID 58391470

IUPAC1-(3-tert-butylpyrrolidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC(C(C)(C)C)C1
InChIInChI=1S/C11H21NO/c1-9(13)7-12-6-5-10(8-12)11(2,3)4/h10H,5-8H2,1-4H3
InChIKeyYDPIXFIKQXTWAD-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds2

About 1-(3-tert-butylpyrrolidin-1-yl)propan-2-one

1-(3-tert-butylpyrrolidin-1-yl)propan-2-one (PubChem CID 58391470) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(3-tert-butylpyrrolidin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-tert-butylpyrrolidin-1-yl)propan-2-one
PubChem CID58391470
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3-tert-butylpyrrolidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC(C(C)(C)C)C1
InChIInChI=1S/C11H21NO/c1-9(13)7-12-6-5-10(8-12)11(2,3)4/h10H,5-8H2,1-4H3
InChIKeyYDPIXFIKQXTWAD-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylpyrrolidin-1-yl)propan-2-one?
The IUPAC name of 1-(3-tert-butylpyrrolidin-1-yl)propan-2-one (CID 58391470) is 1-(3-tert-butylpyrrolidin-1-yl)propan-2-one.
What is the SMILES notation for 1-(3-tert-butylpyrrolidin-1-yl)propan-2-one?
The canonical SMILES for 1-(3-tert-butylpyrrolidin-1-yl)propan-2-one is CC(=O)CN1CCC(C(C)(C)C)C1.
What is the InChIKey of 1-(3-tert-butylpyrrolidin-1-yl)propan-2-one?
The InChIKey is YDPIXFIKQXTWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(13)7-12-6-5-10(8-12)11(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of 1-(3-tert-butylpyrrolidin-1-yl)propan-2-one?
1-(3-tert-butylpyrrolidin-1-yl)propan-2-one has a molecular weight of 183.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylpyrrolidin-1-yl)propan-2-one is sourced from PubChem (CID 58391470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).