1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione

C13H16N4O4 — CID 107353246

IUPAC1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2cccc([N+](=O)[O-])c2NN)C(=O)C1C
InChIInChI=1S/C13H16N4O4/c1-7-8(2)13(19)16(12(7)18)6-9-4-3-5-10(17(20)21)11(9)15-14/h3-5,7-8,15H,6,14H2,1-2H3
InChIKeyQMLMFAHYVMUXSA-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.02
Rot. Bonds4

About 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 107353246) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID107353246
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2cccc([N+](=O)[O-])c2NN)C(=O)C1C
InChIInChI=1S/C13H16N4O4/c1-7-8(2)13(19)16(12(7)18)6-9-4-3-5-10(17(20)21)11(9)15-14/h3-5,7-8,15H,6,14H2,1-2H3
InChIKeyQMLMFAHYVMUXSA-UHFFFAOYSA-N
XLogP1.02
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one
CID 107353254
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one
CID 107353265
[2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107352957
[2-nitro-6-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 107353157
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 107353187
[2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine
CID 107353090
4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one
CID 107352999
[2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107353045
[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-nitrophenyl]hydrazine
CID 107459272
[2-nitro-6-(phenoxymethyl)phenyl]hydrazine
CID 107353309

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 107353246) is 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(Cc2cccc([N+](=O)[O-])c2NN)C(=O)C1C.
What is the InChIKey of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is QMLMFAHYVMUXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-7-8(2)13(19)16(12(7)18)6-9-4-3-5-10(17(20)21)11(9)15-14/h3-5,7-8,15H,6,14H2,1-2H3.
What are the key properties of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 292.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 107353246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).