(1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea

C9H13N3O2 — CID 134097896

IUPAC(1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea
SMILESCCCNC(=O)/N=c1/ccccn1O
InChIInChI=1S/C9H13N3O2/c1-2-6-10-9(13)11-8-5-3-4-7-12(8)14/h3-5,7,14H,2,6H2,1H3,(H,10,13)/b11-8-
InChIKeyOMJKNSQALMKTRU-FLIBITNWSA-N
MW195.22 g/mol
LogP0.75
Rot. Bonds2

About (1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea

(1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea (PubChem CID 134097896) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea.

Molecular Properties

Compound Name(1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea
PubChem CID134097896
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea
SMILESCCCNC(=O)/N=c1/ccccn1O
InChIInChI=1S/C9H13N3O2/c1-2-6-10-9(13)11-8-5-3-4-7-12(8)14/h3-5,7,14H,2,6H2,1H3,(H,10,13)/b11-8-
InChIKeyOMJKNSQALMKTRU-FLIBITNWSA-N
XLogP0.75
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea?
The IUPAC name of (1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea (CID 134097896) is (1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea.
What is the SMILES notation for (1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea?
The canonical SMILES for (1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea is CCCNC(=O)/N=c1/ccccn1O.
What is the InChIKey of (1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea?
The InChIKey is OMJKNSQALMKTRU-FLIBITNWSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-6-10-9(13)11-8-5-3-4-7-12(8)14/h3-5,7,14H,2,6H2,1H3,(H,10,13)/b11-8-.
What are the key properties of (1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea?
(1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea has a molecular weight of 195.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1-hydroxy-2-pyridinylidene)-3-propylurea is sourced from PubChem (CID 134097896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).