1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one

C11H21NO — CID 116570206

IUPAC1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)C1(CC)CCNC1
InChIInChI=1S/C11H21NO/c1-4-9(3)10(13)11(5-2)6-7-12-8-11/h9,12H,4-8H2,1-3H3
InChIKeyIMAOTXYMDGUXHZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.99
Rot. Bonds4

About 1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one

1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one (PubChem CID 116570206) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one
PubChem CID116570206
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)C1(CC)CCNC1
InChIInChI=1S/C11H21NO/c1-4-9(3)10(13)11(5-2)6-7-12-8-11/h9,12H,4-8H2,1-3H3
InChIKeyIMAOTXYMDGUXHZ-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(4-propylpiperidin-4-yl)butan-1-one
CID 116569072
2-methyl-1-(3-methylpyrrolidin-3-yl)butan-1-one
CID 116569893
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 106345018
4-methylpentyl 3-ethylpyrrolidine-3-carboxylate
CID 63144993
2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
CID 55164380
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
1-(3-ethylpyrrolidin-3-yl)-3-propan-2-ylsulfonylpropan-1-one
CID 106736406
3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide
CID 112659335
3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
CID 63142124
N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65314830

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one?
The IUPAC name of 1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one (CID 116570206) is 1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one?
The canonical SMILES for 1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one is CCC(C)C(=O)C1(CC)CCNC1.
What is the InChIKey of 1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one?
The InChIKey is IMAOTXYMDGUXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-9(3)10(13)11(5-2)6-7-12-8-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one?
1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one has a molecular weight of 183.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one is sourced from PubChem (CID 116570206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).