(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea

C9H17N3O2 — CID 143932241

IUPAC(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea
SMILESNC(=O)NC1CC(O)C2CCCN2C1
InChIInChI=1S/C9H17N3O2/c10-9(14)11-6-4-8(13)7-2-1-3-12(7)5-6/h6-8,13H,1-5H2,(H3,10,11,14)
InChIKeyRNUFRODQQFXNOV-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.75
Rot. Bonds1

About (8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea

(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea (PubChem CID 143932241) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea.

Molecular Properties

Compound Name(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea
PubChem CID143932241
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea
SMILESNC(=O)NC1CC(O)C2CCCN2C1
InChIInChI=1S/C9H17N3O2/c10-9(14)11-6-4-8(13)7-2-1-3-12(7)5-6/h6-8,13H,1-5H2,(H3,10,11,14)
InChIKeyRNUFRODQQFXNOV-UHFFFAOYSA-N
XLogP-0.75
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea?
The IUPAC name of (8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea (CID 143932241) is (8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea.
What is the SMILES notation for (8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea?
The canonical SMILES for (8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea is NC(=O)NC1CC(O)C2CCCN2C1.
What is the InChIKey of (8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea?
The InChIKey is RNUFRODQQFXNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-9(14)11-6-4-8(13)7-2-1-3-12(7)5-6/h6-8,13H,1-5H2,(H3,10,11,14).
What are the key properties of (8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea?
(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea has a molecular weight of 199.25 g/mol, XLogP of -0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea is sourced from PubChem (CID 143932241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).