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

C12H16N4O3 — CID 107353187

IUPAC1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
SMILESNNc1c(CN2CCCCC2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c13-14-12-9(4-3-5-10(12)16(18)19)8-15-7-2-1-6-11(15)17/h3-5,14H,1-2,6-8,13H2
InChIKeyRFFAWCATNTZCDL-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.39
Rot. Bonds4

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

1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one (PubChem CID 107353187) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
PubChem CID107353187
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
SMILESNNc1c(CN2CCCCC2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c13-14-12-9(4-3-5-10(12)16(18)19)8-15-7-2-1-6-11(15)17/h3-5,14H,1-2,6-8,13H2
InChIKeyRFFAWCATNTZCDL-UHFFFAOYSA-N
XLogP1.39
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.39
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-(methylamino)-3-nitrophenyl]methyl]azocan-2-one
CID 107351752
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 62245598
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one
CID 107353265
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 107353246
4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one
CID 107352999
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one
CID 107353254
[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-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107353045
1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38885126
[2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine
CID 107353090

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one?
The IUPAC name of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one (CID 107353187) is 1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one is NNc1c(CN2CCCCC2=O)cccc1[N+](=O)[O-].
What is the InChIKey of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one?
The InChIKey is RFFAWCATNTZCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-14-12-9(4-3-5-10(12)16(18)19)8-15-7-2-1-6-11(15)17/h3-5,14H,1-2,6-8,13H2.
What are the key properties of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one?
1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one has a molecular weight of 264.28 g/mol, XLogP of 1.39, 4 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]piperidin-2-one is sourced from PubChem (CID 107353187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).