2-(2-methyl-6-nitrophenoxy)pentanehydrazide

C12H17N3O4 — CID 83048033

IUPAC2-(2-methyl-6-nitrophenoxy)pentanehydrazide
SMILESCCCC(Oc1c(C)cccc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C12H17N3O4/c1-3-5-10(12(16)14-13)19-11-8(2)6-4-7-9(11)15(17)18/h4,6-7,10H,3,5,13H2,1-2H3,(H,14,16)
InChIKeyDLJLHWQYBJQJEX-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.44
Rot. Bonds6

About 2-(2-methyl-6-nitrophenoxy)pentanehydrazide

2-(2-methyl-6-nitrophenoxy)pentanehydrazide (PubChem CID 83048033) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(2-methyl-6-nitrophenoxy)pentanehydrazide.

Molecular Properties

Compound Name2-(2-methyl-6-nitrophenoxy)pentanehydrazide
PubChem CID83048033
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(2-methyl-6-nitrophenoxy)pentanehydrazide
SMILESCCCC(Oc1c(C)cccc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C12H17N3O4/c1-3-5-10(12(16)14-13)19-11-8(2)6-4-7-9(11)15(17)18/h4,6-7,10H,3,5,13H2,1-2H3,(H,14,16)
InChIKeyDLJLHWQYBJQJEX-UHFFFAOYSA-N
XLogP1.44
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-(2-fluoro-6-nitrophenoxy)pentanehydrazide
CID 104832467
2-(2,6-dimethylphenoxy)pentanehydrazide
CID 54792907
2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide
CID 83048156
2-(2-nitrophenoxy)butanehydrazide
CID 54792980
2-(4-cyano-2-nitrophenoxy)pentanehydrazide
CID 83047253
N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine
CID 115554059
3-methoxy-2-(2-nitrophenoxy)propanehydrazide
CID 103229219
2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide
CID 63570531
N-(2-methoxy-3-nitrophenyl)-2-propylpentanamide
CID 24847620
ethyl 2,3-dihydroxy-3-(2-methyl-6-nitrophenyl)propanoate
CID 171866575
N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-2-nitrobenzohydrazide
CID 9297820
N'-[2-(2,6-dimethylphenoxy)propanoyl]-2-nitrobenzohydrazide
CID 4958662

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-nitrophenoxy)pentanehydrazide?
The IUPAC name of 2-(2-methyl-6-nitrophenoxy)pentanehydrazide (CID 83048033) is 2-(2-methyl-6-nitrophenoxy)pentanehydrazide.
What is the SMILES notation for 2-(2-methyl-6-nitrophenoxy)pentanehydrazide?
The canonical SMILES for 2-(2-methyl-6-nitrophenoxy)pentanehydrazide is CCCC(Oc1c(C)cccc1[N+](=O)[O-])C(=O)NN.
What is the InChIKey of 2-(2-methyl-6-nitrophenoxy)pentanehydrazide?
The InChIKey is DLJLHWQYBJQJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-5-10(12(16)14-13)19-11-8(2)6-4-7-9(11)15(17)18/h4,6-7,10H,3,5,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-methyl-6-nitrophenoxy)pentanehydrazide?
2-(2-methyl-6-nitrophenoxy)pentanehydrazide has a molecular weight of 267.28 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-nitrophenoxy)pentanehydrazide is sourced from PubChem (CID 83048033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).