1-(2-methylpropyl)-3-nitropyridin-2-one

C9H12N2O3 — CID 90225152

IUPAC1-(2-methylpropyl)-3-nitropyridin-2-one
SMILESCC(C)Cn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C9H12N2O3/c1-7(2)6-10-5-3-4-8(9(10)12)11(13)14/h3-5,7H,6H2,1-2H3
InChIKeyVUXCKGRQYDACDT-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.41
Rot. Bonds3

About 1-(2-methylpropyl)-3-nitropyridin-2-one

1-(2-methylpropyl)-3-nitropyridin-2-one (PubChem CID 90225152) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-nitropyridin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-nitropyridin-2-one
PubChem CID90225152
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(2-methylpropyl)-3-nitropyridin-2-one
SMILESCC(C)Cn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C9H12N2O3/c1-7(2)6-10-5-3-4-8(9(10)12)11(13)14/h3-5,7H,6H2,1-2H3
InChIKeyVUXCKGRQYDACDT-UHFFFAOYSA-N
XLogP1.41
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-[3-(tert-butylamino)-2-hydroxypropyl]-3-nitropyridin-2-one
CID 115475688
1-(2-methoxyethyl)-3-nitropyridin-2-one
CID 89012682
1-[[5-fluoro-1-(2-methylpropyl)indol-2-yl]methyl]-3-nitropyridin-2-one
CID 146349362
ethane;3-nitro-1-propan-2-ylpyridin-2-one
CID 142524003
1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one
CID 178098988
1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one
CID 714064
1-[2-(aminomethyl)prop-2-enyl]-3-nitropyridin-2-one
CID 103072256
methyl 2-ethyl-4-(3-nitro-2-oxo-1-pyridinyl)but-2-enoate
CID 77101395
ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate
CID 62100471
4-(3-nitro-2-oxo-1-pyridinyl)but-2-enoic acid
CID 76940851
3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide
CID 138585557
3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one
CID 105448424

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-nitropyridin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-nitropyridin-2-one (CID 90225152) is 1-(2-methylpropyl)-3-nitropyridin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-nitropyridin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-nitropyridin-2-one is CC(C)Cn1cccc([N+](=O)[O-])c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-nitropyridin-2-one?
The InChIKey is VUXCKGRQYDACDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-7(2)6-10-5-3-4-8(9(10)12)11(13)14/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-nitropyridin-2-one?
1-(2-methylpropyl)-3-nitropyridin-2-one has a molecular weight of 196.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-nitropyridin-2-one is sourced from PubChem (CID 90225152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).