3-[(2R)-pyrrolidin-2-yl]hexan-3-ol

C10H21NO — CID 138485395

IUPAC3-[(2R)-pyrrolidin-2-yl]hexan-3-ol
SMILESCCCC(O)(CC)[C@H]1CCCN1
InChIInChI=1S/C10H21NO/c1-3-7-10(12,4-2)9-6-5-8-11-9/h9,11-12H,3-8H2,1-2H3/t9-,10?/m1/s1
InChIKeyMWCBSCIUMDVUKW-YHMJZVADSA-N
MW171.28 g/mol
LogP1.68
Rot. Bonds4

About 3-[(2R)-pyrrolidin-2-yl]hexan-3-ol

3-[(2R)-pyrrolidin-2-yl]hexan-3-ol (PubChem CID 138485395) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[(2R)-pyrrolidin-2-yl]hexan-3-ol.

Molecular Properties

Compound Name3-[(2R)-pyrrolidin-2-yl]hexan-3-ol
PubChem CID138485395
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[(2R)-pyrrolidin-2-yl]hexan-3-ol
SMILESCCCC(O)(CC)[C@H]1CCCN1
InChIInChI=1S/C10H21NO/c1-3-7-10(12,4-2)9-6-5-8-11-9/h9,11-12H,3-8H2,1-2H3/t9-,10?/m1/s1
InChIKeyMWCBSCIUMDVUKW-YHMJZVADSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-pyrrolidin-2-yl]hexan-3-ol?
The IUPAC name of 3-[(2R)-pyrrolidin-2-yl]hexan-3-ol (CID 138485395) is 3-[(2R)-pyrrolidin-2-yl]hexan-3-ol.
What is the SMILES notation for 3-[(2R)-pyrrolidin-2-yl]hexan-3-ol?
The canonical SMILES for 3-[(2R)-pyrrolidin-2-yl]hexan-3-ol is CCCC(O)(CC)[C@H]1CCCN1.
What is the InChIKey of 3-[(2R)-pyrrolidin-2-yl]hexan-3-ol?
The InChIKey is MWCBSCIUMDVUKW-YHMJZVADSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-7-10(12,4-2)9-6-5-8-11-9/h9,11-12H,3-8H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of 3-[(2R)-pyrrolidin-2-yl]hexan-3-ol?
3-[(2R)-pyrrolidin-2-yl]hexan-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-pyrrolidin-2-yl]hexan-3-ol is sourced from PubChem (CID 138485395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).