aziridin-2-one;naphthalene

C12H11NO — CID 20975737

IUPACaziridin-2-one;naphthalene
SMILESO=C1CN1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H3NO/c1-2-6-10-8-4-3-7-9(10)5-1;4-2-1-3-2/h1-8H;1H2,(H,3,4)
InChIKeyJLUWTLLBJBSJKZ-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.96
Rot. Bonds

About aziridin-2-one;naphthalene

aziridin-2-one;naphthalene (PubChem CID 20975737) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is aziridin-2-one;naphthalene.

Molecular Properties

Compound Nameaziridin-2-one;naphthalene
PubChem CID20975737
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Nameaziridin-2-one;naphthalene
SMILESO=C1CN1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H3NO/c1-2-6-10-8-4-3-7-9(10)5-1;4-2-1-3-2/h1-8H;1H2,(H,3,4)
InChIKeyJLUWTLLBJBSJKZ-UHFFFAOYSA-N
XLogP1.96
TPSA39.01 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 aziridin-2-one;naphthalene?
The IUPAC name of aziridin-2-one;naphthalene (CID 20975737) is aziridin-2-one;naphthalene.
What is the SMILES notation for aziridin-2-one;naphthalene?
The canonical SMILES for aziridin-2-one;naphthalene is O=C1CN1.c1ccc2ccccc2c1.
What is the InChIKey of aziridin-2-one;naphthalene?
The InChIKey is JLUWTLLBJBSJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C2H3NO/c1-2-6-10-8-4-3-7-9(10)5-1;4-2-1-3-2/h1-8H;1H2,(H,3,4).
What are the key properties of aziridin-2-one;naphthalene?
aziridin-2-one;naphthalene has a molecular weight of 185.23 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-2-one;naphthalene is sourced from PubChem (CID 20975737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).