6-pyrrolidin-1-ylhexane-1,5-diol

C10H21NO2 — CID 54441459

IUPAC6-pyrrolidin-1-ylhexane-1,5-diol
SMILESOCCCCC(O)CN1CCCC1
InChIInChI=1S/C10H21NO2/c12-8-4-1-5-10(13)9-11-6-2-3-7-11/h10,12-13H,1-9H2
InChIKeyOUZSJQFPUKZMBO-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.61
Rot. Bonds6

About 6-pyrrolidin-1-ylhexane-1,5-diol

6-pyrrolidin-1-ylhexane-1,5-diol (PubChem CID 54441459) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylhexane-1,5-diol.

Molecular Properties

Compound Name6-pyrrolidin-1-ylhexane-1,5-diol
PubChem CID54441459
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name6-pyrrolidin-1-ylhexane-1,5-diol
SMILESOCCCCC(O)CN1CCCC1
InChIInChI=1S/C10H21NO2/c12-8-4-1-5-10(13)9-11-6-2-3-7-11/h10,12-13H,1-9H2
InChIKeyOUZSJQFPUKZMBO-UHFFFAOYSA-N
XLogP0.61
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylhexane-1,5-diol?
The IUPAC name of 6-pyrrolidin-1-ylhexane-1,5-diol (CID 54441459) is 6-pyrrolidin-1-ylhexane-1,5-diol.
What is the SMILES notation for 6-pyrrolidin-1-ylhexane-1,5-diol?
The canonical SMILES for 6-pyrrolidin-1-ylhexane-1,5-diol is OCCCCC(O)CN1CCCC1.
What is the InChIKey of 6-pyrrolidin-1-ylhexane-1,5-diol?
The InChIKey is OUZSJQFPUKZMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c12-8-4-1-5-10(13)9-11-6-2-3-7-11/h10,12-13H,1-9H2.
What are the key properties of 6-pyrrolidin-1-ylhexane-1,5-diol?
6-pyrrolidin-1-ylhexane-1,5-diol has a molecular weight of 187.28 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylhexane-1,5-diol is sourced from PubChem (CID 54441459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).