ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one

C11H16N4O3 — CID 144913210

IUPACethane;1-(6-nitro-3-pyridinyl)piperazin-2-one
SMILESCC.O=C1CNCCN1c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C9H10N4O3.C2H6/c14-9-6-10-3-4-12(9)7-1-2-8(11-5-7)13(15)16;1-2/h1-2,5,10H,3-4,6H2;1-2H3
InChIKeyRVVLHTYXHPKGOP-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.95
Rot. Bonds2

About ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one

ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one (PubChem CID 144913210) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Nameethane;1-(6-nitro-3-pyridinyl)piperazin-2-one
PubChem CID144913210
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Nameethane;1-(6-nitro-3-pyridinyl)piperazin-2-one
SMILESCC.O=C1CNCCN1c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C9H10N4O3.C2H6/c14-9-6-10-3-4-12(9)7-1-2-8(11-5-7)13(15)16;1-2/h1-2,5,10H,3-4,6H2;1-2H3
InChIKeyRVVLHTYXHPKGOP-UHFFFAOYSA-N
XLogP0.95
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one?
The IUPAC name of ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one (CID 144913210) is ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one.
What is the SMILES notation for ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one?
The canonical SMILES for ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one is CC.O=C1CNCCN1c1ccc([N+](=O)[O-])nc1.
What is the InChIKey of ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one?
The InChIKey is RVVLHTYXHPKGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3.C2H6/c14-9-6-10-3-4-12(9)7-1-2-8(11-5-7)13(15)16;1-2/h1-2,5,10H,3-4,6H2;1-2H3.
What are the key properties of ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one?
ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one has a molecular weight of 252.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one is sourced from PubChem (CID 144913210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).