1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol

C13H23NO2 — CID 65162012

IUPAC1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol
SMILESOC1(CCC2CCCO2)CCN(C2CC2)C1
InChIInChI=1S/C13H23NO2/c15-13(6-5-12-2-1-9-16-12)7-8-14(10-13)11-3-4-11/h11-12,15H,1-10H2
InChIKeyMONBOQDKBZWOBX-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.54
Rot. Bonds4

About 1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol

1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol (PubChem CID 65162012) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol
PubChem CID65162012
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol
SMILESOC1(CCC2CCCO2)CCN(C2CC2)C1
InChIInChI=1S/C13H23NO2/c15-13(6-5-12-2-1-9-16-12)7-8-14(10-13)11-3-4-11/h11-12,15H,1-10H2
InChIKeyMONBOQDKBZWOBX-UHFFFAOYSA-N
XLogP1.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol (CID 65162012) is 1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol is OC1(CCC2CCCO2)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol?
The InChIKey is MONBOQDKBZWOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13(6-5-12-2-1-9-16-12)7-8-14(10-13)11-3-4-11/h11-12,15H,1-10H2.
What are the key properties of 1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol?
1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol has a molecular weight of 225.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 65162012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).