[2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine

C13H19N3O4 — CID 62244881

IUPAC[2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine
SMILESNNc1ccc(COCC2CCCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c14-15-12-5-4-10(7-13(12)16(17)18)8-19-9-11-3-1-2-6-20-11/h4-5,7,11,15H,1-3,6,8-9,14H2
InChIKeyYABCBWHNVFHQTO-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.97
Rot. Bonds6

About [2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine

[2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine (PubChem CID 62244881) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is [2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine
PubChem CID62244881
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name[2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine
SMILESNNc1ccc(COCC2CCCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c14-15-12-5-4-10(7-13(12)16(17)18)8-19-9-11-3-1-2-6-20-11/h4-5,7,11,15H,1-3,6,8-9,14H2
InChIKeyYABCBWHNVFHQTO-UHFFFAOYSA-N
XLogP1.97
TPSA99.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.97
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

N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62246253
[2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine
CID 106495807
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 62245323
[4-(hexoxymethyl)-2-nitrophenyl]hydrazine
CID 62245077
2-nitro-6-(oxan-2-ylmethoxymethyl)aniline
CID 107352211
[4-(oxan-2-ylmethoxymethyl)-2-pyridinyl]hydrazine
CID 62463960
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
N-methyl-2-nitro-6-(oxan-2-ylmethoxymethyl)aniline
CID 107352212
[4-(3,3-dimethylbutoxymethyl)-2-nitrophenyl]hydrazine
CID 66225464
[4-[(3-bromophenyl)methoxymethyl]-2-nitrophenyl]hydrazine
CID 82805450
[2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine
CID 79589871
4-ethyl-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 155137381

Frequently Asked Questions

What is the IUPAC name of [2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine?
The IUPAC name of [2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine (CID 62244881) is [2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine.
What is the SMILES notation for [2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine?
The canonical SMILES for [2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine is NNc1ccc(COCC2CCCCO2)cc1[N+](=O)[O-].
What is the InChIKey of [2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine?
The InChIKey is YABCBWHNVFHQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c14-15-12-5-4-10(7-13(12)16(17)18)8-19-9-11-3-1-2-6-20-11/h4-5,7,11,15H,1-3,6,8-9,14H2.
What are the key properties of [2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine?
[2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine has a molecular weight of 281.31 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine is sourced from PubChem (CID 62244881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).