[2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine

C13H18N4O3 — CID 107353090

IUPAC[2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine
SMILESNNc1c(CN2CC3CCC(C2)O3)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N4O3/c14-15-13-9(2-1-3-12(13)17(18)19)6-16-7-10-4-5-11(8-16)20-10/h1-3,10-11,15H,4-8,14H2
InChIKeyXOXYZFATHZTMRE-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.24
Rot. Bonds4

About [2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine

[2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine (PubChem CID 107353090) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is [2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine
PubChem CID107353090
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name[2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine
SMILESNNc1c(CN2CC3CCC(C2)O3)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N4O3/c14-15-13-9(2-1-3-12(13)17(18)19)6-16-7-10-4-5-11(8-16)20-10/h1-3,10-11,15H,4-8,14H2
InChIKeyXOXYZFATHZTMRE-UHFFFAOYSA-N
XLogP1.24
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.24
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'}

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Related Compounds

2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)aniline
CID 107351418
[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
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
[2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107353045
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-methyl-6-nitroaniline
CID 107351674
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-nitrophenyl]hydrazine
CID 107459272
1-[[3-nitro-2-(propylamino)phenyl]methyl]pyrrolidine-3,4-diol
CID 107351679
1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 107353187

Frequently Asked Questions

What is the IUPAC name of [2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine?
The IUPAC name of [2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine (CID 107353090) is [2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine.
What is the SMILES notation for [2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine?
The canonical SMILES for [2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine is NNc1c(CN2CC3CCC(C2)O3)cccc1[N+](=O)[O-].
What is the InChIKey of [2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine?
The InChIKey is XOXYZFATHZTMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-15-13-9(2-1-3-12(13)17(18)19)6-16-7-10-4-5-11(8-16)20-10/h1-3,10-11,15H,4-8,14H2.
What are the key properties of [2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine?
[2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine has a molecular weight of 278.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine is sourced from PubChem (CID 107353090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).