azane;aziridin-2-one;4-methylphenol

C9H14N2O2 — CID 88801841

IUPACazane;aziridin-2-one;4-methylphenol
SMILESCc1ccc(O)cc1.N.O=C1CN1
InChIInChI=1S/C7H8O.C2H3NO.H3N/c1-6-2-4-7(8)5-3-6;4-2-1-3-2;/h2-5,8H,1H3;1H2,(H,3,4);1H3
InChIKeyRPENPINVAGIENY-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.98
Rot. Bonds

About azane;aziridin-2-one;4-methylphenol

azane;aziridin-2-one;4-methylphenol (PubChem CID 88801841) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is azane;aziridin-2-one;4-methylphenol.

Molecular Properties

Compound Nameazane;aziridin-2-one;4-methylphenol
PubChem CID88801841
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameazane;aziridin-2-one;4-methylphenol
SMILESCc1ccc(O)cc1.N.O=C1CN1
InChIInChI=1S/C7H8O.C2H3NO.H3N/c1-6-2-4-7(8)5-3-6;4-2-1-3-2;/h2-5,8H,1H3;1H2,(H,3,4);1H3
InChIKeyRPENPINVAGIENY-UHFFFAOYSA-N
XLogP0.98
TPSA94.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;aziridin-2-one;4-methylphenol?
The IUPAC name of azane;aziridin-2-one;4-methylphenol (CID 88801841) is azane;aziridin-2-one;4-methylphenol.
What is the SMILES notation for azane;aziridin-2-one;4-methylphenol?
The canonical SMILES for azane;aziridin-2-one;4-methylphenol is Cc1ccc(O)cc1.N.O=C1CN1.
What is the InChIKey of azane;aziridin-2-one;4-methylphenol?
The InChIKey is RPENPINVAGIENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C2H3NO.H3N/c1-6-2-4-7(8)5-3-6;4-2-1-3-2;/h2-5,8H,1H3;1H2,(H,3,4);1H3.
What are the key properties of azane;aziridin-2-one;4-methylphenol?
azane;aziridin-2-one;4-methylphenol has a molecular weight of 182.22 g/mol, XLogP of 0.98, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;aziridin-2-one;4-methylphenol is sourced from PubChem (CID 88801841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).