[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone

C11H19NO3 — CID 129367608

IUPAC[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CC[C@@H](CO)C1
InChIInChI=1S/C11H19NO3/c13-8-9-1-4-12(7-9)11(14)10-2-5-15-6-3-10/h9-10,13H,1-8H2/t9-/m1/s1
InChIKeyNXYXMXIWDCWLRO-SECBINFHSA-N
MW213.28 g/mol
LogP0.25
Rot. Bonds2

About [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone

[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 129367608) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID129367608
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CC[C@@H](CO)C1
InChIInChI=1S/C11H19NO3/c13-8-9-1-4-12(7-9)11(14)10-2-5-15-6-3-10/h9-10,13H,1-8H2/t9-/m1/s1
InChIKeyNXYXMXIWDCWLRO-SECBINFHSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 129367608) is [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CC[C@@H](CO)C1.
What is the InChIKey of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is NXYXMXIWDCWLRO-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO3/c13-8-9-1-4-12(7-9)11(14)10-2-5-15-6-3-10/h9-10,13H,1-8H2/t9-/m1/s1.
What are the key properties of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 213.28 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 129367608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).