2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone

C10H17NO2 — CID 103745565

IUPAC2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCC1)N1CC[C@H](O)C1
InChIInChI=1S/C10H17NO2/c12-9-4-5-11(7-9)10(13)6-8-2-1-3-8/h8-9,12H,1-7H2/t9-/m0/s1
InChIKeyKHOKIYTYWVDLHS-VIFPVBQESA-N
MW183.25 g/mol
LogP0.77
Rot. Bonds2

About 2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone

2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 103745565) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
PubChem CID103745565
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCC1)N1CC[C@H](O)C1
InChIInChI=1S/C10H17NO2/c12-9-4-5-11(7-9)10(13)6-8-2-1-3-8/h8-9,12H,1-7H2/t9-/m0/s1
InChIKeyKHOKIYTYWVDLHS-VIFPVBQESA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone (CID 103745565) is 2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone is O=C(CC1CCC1)N1CC[C@H](O)C1.
What is the InChIKey of 2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is KHOKIYTYWVDLHS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO2/c12-9-4-5-11(7-9)10(13)6-8-2-1-3-8/h8-9,12H,1-7H2/t9-/m0/s1.
What are the key properties of 2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 183.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 103745565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).