1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one

C14H20N4O3 — CID 104512786

IUPAC1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(Cc2ccc(NN)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C14H20N4O3/c1-9(2)11-6-14(19)17(8-11)7-10-3-4-12(16-15)13(5-10)18(20)21/h3-5,9,11,16H,6-8,15H2,1-2H3
InChIKeyFERSYOOIWCJWKN-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.88
Rot. Bonds5

About 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one

1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104512786) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID104512786
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(Cc2ccc(NN)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C14H20N4O3/c1-9(2)11-6-14(19)17(8-11)7-10-3-4-12(16-15)13(5-10)18(20)21/h3-5,9,11,16H,6-8,15H2,1-2H3
InChIKeyFERSYOOIWCJWKN-UHFFFAOYSA-N
XLogP1.88
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydrazinyl-5-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512782
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 62245598
4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one
CID 79469112
3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one
CID 55050806
1-[(2-amino-5-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512707
1-[(4-chlorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 23588935
4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione
CID 79497407
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512318
[4-[(3-methylpiperidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 55051092
[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63634928
[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 113418785

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one (CID 104512786) is 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one is CC(C)C1CC(=O)N(Cc2ccc(NN)c([N+](=O)[O-])c2)C1.
What is the InChIKey of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is FERSYOOIWCJWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(2)11-6-14(19)17(8-11)7-10-3-4-12(16-15)13(5-10)18(20)21/h3-5,9,11,16H,6-8,15H2,1-2H3.
What are the key properties of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one?
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 292.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104512786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).