1-pyrrolidin-2-ylbutan-1-one

C8H15NO — CID 54066710

IUPAC1-pyrrolidin-2-ylbutan-1-one
SMILESCCCC(=O)C1CCCN1
InChIInChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h7,9H,2-6H2,1H3
InChIKeyHSKTZQYYGYXKCE-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.11
Rot. Bonds3

About 1-pyrrolidin-2-ylbutan-1-one

1-pyrrolidin-2-ylbutan-1-one (PubChem CID 54066710) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-pyrrolidin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-2-ylbutan-1-one
PubChem CID54066710
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-pyrrolidin-2-ylbutan-1-one
SMILESCCCC(=O)C1CCCN1
InChIInChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h7,9H,2-6H2,1H3
InChIKeyHSKTZQYYGYXKCE-UHFFFAOYSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one
CID 106736089
3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one
CID 106736095
4-ethylsulfonyl-1-piperidin-2-ylbutan-1-one
CID 116547815
2-propoxy-1-pyrrolidin-2-ylethanone
CID 116547460
1-[(2S)-pyrrolidin-2-yl]pent-4-yn-1-one
CID 165468100
[(2R)-pyrrolidin-2-yl] butanoate
CID 45090959
[(2S)-pyrrolidin-2-yl] butanoate
CID 45090958
1-[(2S)-pyrrolidin-2-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 46863476
2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 59628860
N-propylpyrrolidine-2-carboxamide
CID 4984185
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-ylbutan-1-one?
The IUPAC name of 1-pyrrolidin-2-ylbutan-1-one (CID 54066710) is 1-pyrrolidin-2-ylbutan-1-one.
What is the SMILES notation for 1-pyrrolidin-2-ylbutan-1-one?
The canonical SMILES for 1-pyrrolidin-2-ylbutan-1-one is CCCC(=O)C1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-ylbutan-1-one?
The InChIKey is HSKTZQYYGYXKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h7,9H,2-6H2,1H3.
What are the key properties of 1-pyrrolidin-2-ylbutan-1-one?
1-pyrrolidin-2-ylbutan-1-one has a molecular weight of 141.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-ylbutan-1-one is sourced from PubChem (CID 54066710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).