1-nitropentane;uranium

C5H10NO2U- — CID 163660530

IUPAC1-nitropentane;uranium
SMILES[CH2-]CCCC[N+](=O)[O-].[U]
InChIInChI=1S/C5H10NO2.U/c1-2-3-4-5-6(7)8;/h1-5H2;/q-1;
InChIKeyRYKKMJSCFZRUGM-UHFFFAOYSA-N
MW354.17 g/mol
LogP1.27
Rot. Bonds4

About 1-nitropentane;uranium

1-nitropentane;uranium (PubChem CID 163660530) has the molecular formula C5H10NO2U- and a molecular weight of 354.17 g/mol. Its IUPAC name is 1-nitropentane;uranium.

Molecular Properties

Compound Name1-nitropentane;uranium
PubChem CID163660530
Molecular FormulaC5H10NO2U-
Molecular Weight354.17 g/mol
Exact Mass354.12
IUPAC Name1-nitropentane;uranium
SMILES[CH2-]CCCC[N+](=O)[O-].[U]
InChIInChI=1S/C5H10NO2.U/c1-2-3-4-5-6(7)8;/h1-5H2;/q-1;
InChIKeyRYKKMJSCFZRUGM-UHFFFAOYSA-N
XLogP1.27
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 1-nitropentane;uranium?
The IUPAC name of 1-nitropentane;uranium (CID 163660530) is 1-nitropentane;uranium.
What is the SMILES notation for 1-nitropentane;uranium?
The canonical SMILES for 1-nitropentane;uranium is [CH2-]CCCC[N+](=O)[O-].[U].
What is the InChIKey of 1-nitropentane;uranium?
The InChIKey is RYKKMJSCFZRUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO2.U/c1-2-3-4-5-6(7)8;/h1-5H2;/q-1;.
What are the key properties of 1-nitropentane;uranium?
1-nitropentane;uranium has a molecular weight of 354.17 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitropentane;uranium is sourced from PubChem (CID 163660530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).