CID 88819167

C6H11KNO3 — CID 88819167

IUPAC—
SMILESCCC(=O)C(CC)[N+](=O)[O-].[K]
InChIInChI=1S/C6H11NO3.K/c1-3-5(7(9)10)6(8)4-2;/h5H,3-4H2,1-2H3;
InChIKeyQAWQSLBVCINSTN-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.64
Rot. Bonds4

About CID 88819167

CID 88819167 (PubChem CID 88819167) has the molecular formula C6H11KNO3 and a molecular weight of 184.26 g/mol.

Molecular Properties

Compound NameCID 88819167
PubChem CID88819167
Molecular FormulaC6H11KNO3
Molecular Weight184.26 g/mol
Exact Mass184.04
IUPAC Name—
SMILESCCC(=O)C(CC)[N+](=O)[O-].[K]
InChIInChI=1S/C6H11NO3.K/c1-3-5(7(9)10)6(8)4-2;/h5H,3-4H2,1-2H3;
InChIKeyQAWQSLBVCINSTN-UHFFFAOYSA-N
XLogP0.64
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

4-nitrononan-3-one
CID 13140430
2-nitro-1-phenylpentan-3-one
CID 12673953
CID 88818947
CID 88818947
1-(dimethylamino)-1-nitrobutan-2-one
CID 88815160
5-nitro-1-phenylheptan-4-one
CID 46848176
(4S)-4-methyl-6-nitrohexan-3-one
CID 143166775
1-(4-fluorophenyl)-2-nitrobutan-1-one
CID 11665643
1-(4-chlorophenyl)-2-nitrobutan-1-one
CID 11601047
2-nitrohexanoic acid
CID 57436977
azanium 3-nitrohexan-2-one
CID 21488796
(4S)-4-amino-5,5-dimethylhexan-3-one
CID 58054153
tris(2-ethyl-3-oxopentanoate);iron(3+)
CID 158768715

Frequently Asked Questions

What is the IUPAC name of CID 88819167?
The IUPAC name of CID 88819167 (CID 88819167) is not available.
What is the SMILES notation for CID 88819167?
The canonical SMILES for CID 88819167 is CCC(=O)C(CC)[N+](=O)[O-].[K].
What is the InChIKey of CID 88819167?
The InChIKey is QAWQSLBVCINSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.K/c1-3-5(7(9)10)6(8)4-2;/h5H,3-4H2,1-2H3;.
What are the key properties of CID 88819167?
CID 88819167 has a molecular weight of 184.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88819167 is sourced from PubChem (CID 88819167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).