ethylbenzene;methanamine;propan-2-one;uranium(2+)

C12H19NOU — CID 167446817

IUPACethylbenzene;methanamine;propan-2-one;uranium(2+)
SMILESCCc1c[c-]ccc1.CN.[CH2-]C(C)=O.[U+2]
InChIInChI=1S/C8H9.C3H5O.CH5N.U/c1-2-8-6-4-3-5-7-8;1-3(2)4;1-2;/h3-4,6-7H,2H2,1H3;1H2,2H3;2H2,1H3;/q2*-1;;+2
InChIKeyBKNAMIXLEMLKPX-UHFFFAOYSA-N
MW431.32 g/mol
LogP2.03
Rot. Bonds1

About ethylbenzene;methanamine;propan-2-one;uranium(2+)

ethylbenzene;methanamine;propan-2-one;uranium(2+) (PubChem CID 167446817) has the molecular formula C12H19NOU and a molecular weight of 431.32 g/mol. Its IUPAC name is ethylbenzene;methanamine;propan-2-one;uranium(2+).

Molecular Properties

Compound Nameethylbenzene;methanamine;propan-2-one;uranium(2+)
PubChem CID167446817
Molecular FormulaC12H19NOU
Molecular Weight431.32 g/mol
Exact Mass431.20
IUPAC Nameethylbenzene;methanamine;propan-2-one;uranium(2+)
SMILESCCc1c[c-]ccc1.CN.[CH2-]C(C)=O.[U+2]
InChIInChI=1S/C8H9.C3H5O.CH5N.U/c1-2-8-6-4-3-5-7-8;1-3(2)4;1-2;/h3-4,6-7H,2H2,1H3;1H2,2H3;2H2,1H3;/q2*-1;;+2
InChIKeyBKNAMIXLEMLKPX-UHFFFAOYSA-N
XLogP2.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;methanamine;propan-2-one;uranium(2+)?
The IUPAC name of ethylbenzene;methanamine;propan-2-one;uranium(2+) (CID 167446817) is ethylbenzene;methanamine;propan-2-one;uranium(2+).
What is the SMILES notation for ethylbenzene;methanamine;propan-2-one;uranium(2+)?
The canonical SMILES for ethylbenzene;methanamine;propan-2-one;uranium(2+) is CCc1c[c-]ccc1.CN.[CH2-]C(C)=O.[U+2].
What is the InChIKey of ethylbenzene;methanamine;propan-2-one;uranium(2+)?
The InChIKey is BKNAMIXLEMLKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.C3H5O.CH5N.U/c1-2-8-6-4-3-5-7-8;1-3(2)4;1-2;/h3-4,6-7H,2H2,1H3;1H2,2H3;2H2,1H3;/q2*-1;;+2.
What are the key properties of ethylbenzene;methanamine;propan-2-one;uranium(2+)?
ethylbenzene;methanamine;propan-2-one;uranium(2+) has a molecular weight of 431.32 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;methanamine;propan-2-one;uranium(2+) is sourced from PubChem (CID 167446817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).