(1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol

C10H17NO3 — CID 11708246

IUPAC(1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol
SMILESC[C@@H](O)C[C@@H](O)C[C@@H](O)n1cccc1
InChIInChI=1S/C10H17NO3/c1-8(12)6-9(13)7-10(14)11-4-2-3-5-11/h2-5,8-10,12-14H,6-7H2,1H3/t8-,9-,10-/m1/s1
InChIKeyFOLMXUHJGZBEET-OPRDCNLKSA-N
MW199.25 g/mol
LogP0.50
Rot. Bonds5

About (1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol

(1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol (PubChem CID 11708246) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol.

Molecular Properties

Compound Name(1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol
PubChem CID11708246
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol
SMILESC[C@@H](O)C[C@@H](O)C[C@@H](O)n1cccc1
InChIInChI=1S/C10H17NO3/c1-8(12)6-9(13)7-10(14)11-4-2-3-5-11/h2-5,8-10,12-14H,6-7H2,1H3/t8-,9-,10-/m1/s1
InChIKeyFOLMXUHJGZBEET-OPRDCNLKSA-N
XLogP0.50
TPSA65.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol?
The IUPAC name of (1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol (CID 11708246) is (1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol.
What is the SMILES notation for (1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol?
The canonical SMILES for (1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol is C[C@@H](O)C[C@@H](O)C[C@@H](O)n1cccc1.
What is the InChIKey of (1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol?
The InChIKey is FOLMXUHJGZBEET-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(12)6-9(13)7-10(14)11-4-2-3-5-11/h2-5,8-10,12-14H,6-7H2,1H3/t8-,9-,10-/m1/s1.
What are the key properties of (1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol?
(1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol has a molecular weight of 199.25 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol is sourced from PubChem (CID 11708246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).