2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one

C10H19NO — CID 59080127

IUPAC2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one
SMILESCN1CCC[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-10(2,3)9(12)8-6-5-7-11(8)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyYHJUWSGGINNOKZ-QMMMGPOBSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds1

About 2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one

2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one (PubChem CID 59080127) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one
PubChem CID59080127
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one
SMILESCN1CCC[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-10(2,3)9(12)8-6-5-7-11(8)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyYHJUWSGGINNOKZ-QMMMGPOBSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one (CID 59080127) is 2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one is CN1CCC[C@H]1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one?
The InChIKey is YHJUWSGGINNOKZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)9(12)8-6-5-7-11(8)4/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one?
2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one is sourced from PubChem (CID 59080127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).