azane;aziridin-2-ol;1-phenoxyethanol

C10H18N2O3 — CID 20544565

IUPACazane;aziridin-2-ol;1-phenoxyethanol
SMILESCC(O)Oc1ccccc1.N.OC1CN1
InChIInChI=1S/C8H10O2.C2H5NO.H3N/c1-7(9)10-8-5-3-2-4-6-8;4-2-1-3-2;/h2-7,9H,1H3;2-4H,1H2;1H3
InChIKeyRMBQWQYPLMRHOF-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.47
Rot. Bonds2

About azane;aziridin-2-ol;1-phenoxyethanol

azane;aziridin-2-ol;1-phenoxyethanol (PubChem CID 20544565) has the molecular formula C10H18N2O3 and a molecular weight of 214.27 g/mol. Its IUPAC name is azane;aziridin-2-ol;1-phenoxyethanol.

Molecular Properties

Compound Nameazane;aziridin-2-ol;1-phenoxyethanol
PubChem CID20544565
Molecular FormulaC10H18N2O3
Molecular Weight214.27 g/mol
Exact Mass214.13
IUPAC Nameazane;aziridin-2-ol;1-phenoxyethanol
SMILESCC(O)Oc1ccccc1.N.OC1CN1
InChIInChI=1S/C8H10O2.C2H5NO.H3N/c1-7(9)10-8-5-3-2-4-6-8;4-2-1-3-2;/h2-7,9H,1H3;2-4H,1H2;1H3
InChIKeyRMBQWQYPLMRHOF-UHFFFAOYSA-N
XLogP0.47
TPSA106.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;aziridin-2-ol;1-phenoxyethanol?
The IUPAC name of azane;aziridin-2-ol;1-phenoxyethanol (CID 20544565) is azane;aziridin-2-ol;1-phenoxyethanol.
What is the SMILES notation for azane;aziridin-2-ol;1-phenoxyethanol?
The canonical SMILES for azane;aziridin-2-ol;1-phenoxyethanol is CC(O)Oc1ccccc1.N.OC1CN1.
What is the InChIKey of azane;aziridin-2-ol;1-phenoxyethanol?
The InChIKey is RMBQWQYPLMRHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C2H5NO.H3N/c1-7(9)10-8-5-3-2-4-6-8;4-2-1-3-2;/h2-7,9H,1H3;2-4H,1H2;1H3.
What are the key properties of azane;aziridin-2-ol;1-phenoxyethanol?
azane;aziridin-2-ol;1-phenoxyethanol has a molecular weight of 214.27 g/mol, XLogP of 0.47, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;aziridin-2-ol;1-phenoxyethanol is sourced from PubChem (CID 20544565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).