2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol

C13H25NO2 — CID 114339118

IUPAC2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCC(CO)CN1CCCC1C1CCCC1O
InChIInChI=1S/C13H25NO2/c1-10(9-15)8-14-7-3-5-12(14)11-4-2-6-13(11)16/h10-13,15-16H,2-9H2,1H3
InChIKeyWWKVNQOFQNJVRS-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.24
Rot. Bonds4

About 2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 114339118) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID114339118
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCC(CO)CN1CCCC1C1CCCC1O
InChIInChI=1S/C13H25NO2/c1-10(9-15)8-14-7-3-5-12(14)11-4-2-6-13(11)16/h10-13,15-16H,2-9H2,1H3
InChIKeyWWKVNQOFQNJVRS-UHFFFAOYSA-N
XLogP1.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-hydroxy-3-propan-2-yloxypropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339076
2-[1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 103161293
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339580
2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339739
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
2-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339388
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol
CID 106460190
2-[1-(cyclohexylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339715
2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339029
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339200
(2R)-2-methyl-3-[(2R)-2-methylpiperidin-1-yl]propan-1-ol
CID 51777105
2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile
CID 114339805

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol (CID 114339118) is 2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol is CC(CO)CN1CCCC1C1CCCC1O.
What is the InChIKey of 2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is WWKVNQOFQNJVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(9-15)8-14-7-3-5-12(14)11-4-2-6-13(11)16/h10-13,15-16H,2-9H2,1H3.
What are the key properties of 2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 114339118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).