4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one

C11H13N3O4 — CID 168662648

IUPAC4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one
SMILESCc1ccc([N+](=O)[O-])c(N2CC(CO)CC2=O)n1
InChIInChI=1S/C11H13N3O4/c1-7-2-3-9(14(17)18)11(12-7)13-5-8(6-15)4-10(13)16/h2-3,8,15H,4-6H2,1H3
InChIKeyQGLQYJGHPONQNO-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.64
Rot. Bonds3

About 4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168662648) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one
PubChem CID168662648
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one
SMILESCc1ccc([N+](=O)[O-])c(N2CC(CO)CC2=O)n1
InChIInChI=1S/C11H13N3O4/c1-7-2-3-9(14(17)18)11(12-7)13-5-8(6-15)4-10(13)16/h2-3,8,15H,4-6H2,1H3
InChIKeyQGLQYJGHPONQNO-UHFFFAOYSA-N
XLogP0.64
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.64
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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Related Compounds

1-(2-chloro-5-nitropyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663794
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 81137665
[1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673093
methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-nitropyridine-3-carboxylate
CID 168662345
[1-(6-chloro-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682809
3,5-dimethyl-1-(6-methyl-3-nitro-2-pyridinyl)piperazine
CID 81132745
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-yl]methanamine
CID 81135913
1-(3-hydroxy-6-methyl-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670457
4-(hydroxymethyl)-1-(2-methoxy-6-nitrophenyl)pyrrolidin-2-one
CID 168662496
1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663840
1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686131
1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663711

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one (CID 168662648) is 4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one is Cc1ccc([N+](=O)[O-])c(N2CC(CO)CC2=O)n1.
What is the InChIKey of 4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is QGLQYJGHPONQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-7-2-3-9(14(17)18)11(12-7)13-5-8(6-15)4-10(13)16/h2-3,8,15H,4-6H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 251.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168662648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).