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

C14H20N4O3 — CID 107353265

IUPAC1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2cccc([N+](=O)[O-])c2NN)C1
InChIInChI=1S/C14H20N4O3/c1-2-4-10-7-13(19)17(8-10)9-11-5-3-6-12(18(20)21)14(11)16-15/h3,5-6,10,16H,2,4,7-9,15H2,1H3
InChIKeyUVFUPXMCIXLWPL-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.03
Rot. Bonds6

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

1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one (PubChem CID 107353265) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one
PubChem CID107353265
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2cccc([N+](=O)[O-])c2NN)C1
InChIInChI=1S/C14H20N4O3/c1-2-4-10-7-13(19)17(8-10)9-11-5-3-6-12(18(20)21)14(11)16-15/h3,5-6,10,16H,2,4,7-9,15H2,1H3
InChIKeyUVFUPXMCIXLWPL-UHFFFAOYSA-N
XLogP2.03
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.03
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

4-ethyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyrrolidin-2-one
CID 107351990
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 107353246
1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 107353187
[2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107352957
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one
CID 107353254
[2-nitro-6-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 107353157
N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline
CID 107351546
[2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107353045
(4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one
CID 93009561
[2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine
CID 107353090
1-[(2-amino-6-bromophenyl)methyl]-4-propylpyrrolidin-2-one
CID 104510848
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one (CID 107353265) is 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2cccc([N+](=O)[O-])c2NN)C1.
What is the InChIKey of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one?
The InChIKey is UVFUPXMCIXLWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-4-10-7-13(19)17(8-10)9-11-5-3-6-12(18(20)21)14(11)16-15/h3,5-6,10,16H,2,4,7-9,15H2,1H3.
What are the key properties of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one?
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one has a molecular weight of 292.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 107353265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).