(3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one

C10H19NO2 — CID 138972601

IUPAC(3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one
SMILESCCC[C@@H](O)CC(=O)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-2-5-9(12)8-10(13)11-6-3-4-7-11/h9,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyMQHCVTJQPSEWHG-SECBINFHSA-N
MW185.27 g/mol
LogP1.16
Rot. Bonds4

About (3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one

(3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 138972601) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one
PubChem CID138972601
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one
SMILESCCC[C@@H](O)CC(=O)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-2-5-9(12)8-10(13)11-6-3-4-7-11/h9,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyMQHCVTJQPSEWHG-SECBINFHSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of (3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one (CID 138972601) is (3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for (3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for (3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one is CCC[C@@H](O)CC(=O)N1CCCC1.
What is the InChIKey of (3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is MQHCVTJQPSEWHG-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-5-9(12)8-10(13)11-6-3-4-7-11/h9,12H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one?
(3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 138972601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).