[(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea

C10H19N3O2 — CID 5412869

IUPAC[(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea
SMILESNC(=O)N/N=C1/CCCC[C@H](O)CCC1
InChIInChI=1S/C10H19N3O2/c11-10(15)13-12-8-4-1-2-6-9(14)7-3-5-8/h9,14H,1-7H2,(H3,11,13,15)/b12-8-/t9-/m0/s1
InChIKeyMQIDDBHEKYCZRP-RILYUOAZSA-N
MW213.28 g/mol
LogP1.12
Rot. Bonds1

About [(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea

[(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea (PubChem CID 5412869) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is [(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea
PubChem CID5412869
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name[(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea
SMILESNC(=O)N/N=C1/CCCC[C@H](O)CCC1
InChIInChI=1S/C10H19N3O2/c11-10(15)13-12-8-4-1-2-6-9(14)7-3-5-8/h9,14H,1-7H2,(H3,11,13,15)/b12-8-/t9-/m0/s1
InChIKeyMQIDDBHEKYCZRP-RILYUOAZSA-N
XLogP1.12
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea?
The IUPAC name of [(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea (CID 5412869) is [(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea.
What is the SMILES notation for [(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea?
The canonical SMILES for [(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea is NC(=O)N/N=C1/CCCC[C@H](O)CCC1.
What is the InChIKey of [(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea?
The InChIKey is MQIDDBHEKYCZRP-RILYUOAZSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-10(15)13-12-8-4-1-2-6-9(14)7-3-5-8/h9,14H,1-7H2,(H3,11,13,15)/b12-8-/t9-/m0/s1.
What are the key properties of [(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea?
[(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea has a molecular weight of 213.28 g/mol, XLogP of 1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea is sourced from PubChem (CID 5412869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).