2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one

C11H21NO — CID 90077533

IUPAC2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCC(C(C)C)C1
InChIInChI=1S/C11H21NO/c1-8(2)10-5-6-12(7-10)11(13)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyQKOGFEPJZXRLLW-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.15
Rot. Bonds2

About 2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one

2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 90077533) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
PubChem CID90077533
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCC(C(C)C)C1
InChIInChI=1S/C11H21NO/c1-8(2)10-5-6-12(7-10)11(13)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyQKOGFEPJZXRLLW-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-[(3S)-3-propan-2-ylazepan-1-yl]propan-1-one
CID 156676279
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
(2S,3S)-2-amino-3-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-one
CID 103833315
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 118217486
(2R)-2-chloro-1-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 129497185
2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
CID 140629108
(1-hydroxycyclopropyl)-[(3R)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 176625352
1-[(3S,4R)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581968
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581965
1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 115966230

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one (CID 90077533) is 2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one is CC(C)C(=O)N1CCC(C(C)C)C1.
What is the InChIKey of 2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is QKOGFEPJZXRLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)10-5-6-12(7-10)11(13)9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 90077533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).