ethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+)

C7H9NO5U — CID 163713563

IUPACethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+)
SMILESCCOC(=O)C([C-]=O)[N+](=O)[O-].[H][C-]=C.[U+2]
InChIInChI=1S/C5H6NO5.C2H3.U/c1-2-11-5(8)4(3-7)6(9)10;1-2;/h4H,2H2,1H3;1H,2H2;/q2*-1;+2
InChIKeyYZWMVHRQYCSEGQ-UHFFFAOYSA-N
MW425.18 g/mol
LogP-0.09
Rot. Bonds4

About ethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+)

ethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+) (PubChem CID 163713563) has the molecular formula C7H9NO5U and a molecular weight of 425.18 g/mol. Its IUPAC name is ethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+).

Molecular Properties

Compound Nameethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+)
PubChem CID163713563
Molecular FormulaC7H9NO5U
Molecular Weight425.18 g/mol
Exact Mass425.10
IUPAC Nameethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+)
SMILESCCOC(=O)C([C-]=O)[N+](=O)[O-].[H][C-]=C.[U+2]
InChIInChI=1S/C5H6NO5.C2H3.U/c1-2-11-5(8)4(3-7)6(9)10;1-2;/h4H,2H2,1H3;1H,2H2;/q2*-1;+2
InChIKeyYZWMVHRQYCSEGQ-UHFFFAOYSA-N
XLogP-0.09
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 ethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+)?
The IUPAC name of ethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+) (CID 163713563) is ethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+).
What is the SMILES notation for ethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+)?
The canonical SMILES for ethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+) is CCOC(=O)C([C-]=O)[N+](=O)[O-].[H][C-]=C.[U+2].
What is the InChIKey of ethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+)?
The InChIKey is YZWMVHRQYCSEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NO5.C2H3.U/c1-2-11-5(8)4(3-7)6(9)10;1-2;/h4H,2H2,1H3;1H,2H2;/q2*-1;+2.
What are the key properties of ethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+)?
ethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+) has a molecular weight of 425.18 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethyl 2-nitro-3-oxopropanoate;uranium(2+) is sourced from PubChem (CID 163713563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).