[3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol

C12H23NO2 — CID 66060299

IUPAC[3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol
SMILESOCC1(CCCC2CCCO2)CCNC1
InChIInChI=1S/C12H23NO2/c14-10-12(6-7-13-9-12)5-1-3-11-4-2-8-15-11/h11,13-14H,1-10H2
InChIKeyMIWLQYWFDZAIAE-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.31
Rot. Bonds5

About [3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol

[3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol (PubChem CID 66060299) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol
PubChem CID66060299
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol
SMILESOCC1(CCCC2CCCO2)CCNC1
InChIInChI=1S/C12H23NO2/c14-10-12(6-7-13-9-12)5-1-3-11-4-2-8-15-11/h11,13-14H,1-10H2
InChIKeyMIWLQYWFDZAIAE-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol (CID 66060299) is [3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol is OCC1(CCCC2CCCO2)CCNC1.
What is the InChIKey of [3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol?
The InChIKey is MIWLQYWFDZAIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-10-12(6-7-13-9-12)5-1-3-11-4-2-8-15-11/h11,13-14H,1-10H2.
What are the key properties of [3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol?
[3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol has a molecular weight of 213.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 66060299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).