2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one

C15H29NO2 — CID 90244735

IUPAC2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one
SMILESCOC(C)C(C(=O)N1CCC[C@H]1C(C)C)C(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)13-8-7-9-16(13)15(17)14(11(3)4)12(5)18-6/h10-14H,7-9H2,1-6H3/t12?,13-,14?/m0/s1
InChIKeyCWJYPESHRIHTMF-MOKVOYLWSA-N
MW255.40 g/mol
LogP2.94
Rot. Bonds5

About 2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one

2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one (PubChem CID 90244735) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one
PubChem CID90244735
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one
SMILESCOC(C)C(C(=O)N1CCC[C@H]1C(C)C)C(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)13-8-7-9-16(13)15(17)14(11(3)4)12(5)18-6/h10-14H,7-9H2,1-6H3/t12?,13-,14?/m0/s1
InChIKeyCWJYPESHRIHTMF-MOKVOYLWSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one?
The IUPAC name of 2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one (CID 90244735) is 2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one is COC(C)C(C(=O)N1CCC[C@H]1C(C)C)C(C)C.
What is the InChIKey of 2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one?
The InChIKey is CWJYPESHRIHTMF-MOKVOYLWSA-N. The full InChI is InChI=1S/C15H29NO2/c1-10(2)13-8-7-9-16(13)15(17)14(11(3)4)12(5)18-6/h10-14H,7-9H2,1-6H3/t12?,13-,14?/m0/s1.
What are the key properties of 2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one?
2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one has a molecular weight of 255.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 90244735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).