cyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone

C10H17NO2 — CID 90158068

IUPACcyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone
SMILESCCC1CN(C(=O)C2CC2)CC1O
InChIInChI=1S/C10H17NO2/c1-2-7-5-11(6-9(7)12)10(13)8-3-4-8/h7-9,12H,2-6H2,1H3
InChIKeyQCVBLBMNIPLGBL-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.63
Rot. Bonds2

About cyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone

cyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone (PubChem CID 90158068) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is cyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone
PubChem CID90158068
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namecyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone
SMILESCCC1CN(C(=O)C2CC2)CC1O
InChIInChI=1S/C10H17NO2/c1-2-7-5-11(6-9(7)12)10(13)8-3-4-8/h7-9,12H,2-6H2,1H3
InChIKeyQCVBLBMNIPLGBL-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of cyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone (CID 90158068) is cyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for cyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone is CCC1CN(C(=O)C2CC2)CC1O.
What is the InChIKey of cyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is QCVBLBMNIPLGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-7-5-11(6-9(7)12)10(13)8-3-4-8/h7-9,12H,2-6H2,1H3.
What are the key properties of cyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone?
cyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 183.25 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 90158068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).