2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol

C13H25NO2 — CID 62609588

IUPAC2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
SMILESOCCCC1CCCN1CC1CCCC1O
InChIInChI=1S/C13H25NO2/c15-9-3-6-12-5-2-8-14(12)10-11-4-1-7-13(11)16/h11-13,15-16H,1-10H2
InChIKeyGEDHYVVFGZJIIU-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.38
Rot. Bonds5

About 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol

2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol (PubChem CID 62609588) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
PubChem CID62609588
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
SMILESOCCCC1CCCN1CC1CCCC1O
InChIInChI=1S/C13H25NO2/c15-9-3-6-12-5-2-8-14(12)10-11-4-1-7-13(11)16/h11-13,15-16H,1-10H2
InChIKeyGEDHYVVFGZJIIU-UHFFFAOYSA-N
XLogP1.38
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol (CID 62609588) is 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol is OCCCC1CCCN1CC1CCCC1O.
What is the InChIKey of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol?
The InChIKey is GEDHYVVFGZJIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-9-3-6-12-5-2-8-14(12)10-11-4-1-7-13(11)16/h11-13,15-16H,1-10H2.
What are the key properties of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol?
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 62609588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).