[3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine

C14H19N3O3 — CID 80914835

IUPAC[3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine
SMILESCC1CC=CCC1COc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-10-4-2-3-5-11(10)9-20-14-7-12(16-15)6-13(8-14)17(18)19/h2-3,6-8,10-11,16H,4-5,9,15H2,1H3
InChIKeyDFWRZPJXQBNTKG-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.86
Rot. Bonds5

About [3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine

[3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine (PubChem CID 80914835) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine
PubChem CID80914835
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine
SMILESCC1CC=CCC1COc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-10-4-2-3-5-11(10)9-20-14-7-12(16-15)6-13(8-14)17(18)19/h2-3,6-8,10-11,16H,4-5,9,15H2,1H3
InChIKeyDFWRZPJXQBNTKG-UHFFFAOYSA-N
XLogP2.86
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(3-hydrazinyl-5-nitrophenoxy)ethanol
CID 80912775
[3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine
CID 80930909
3-(cyclopropylmethoxy)-N-methyl-5-nitroaniline
CID 80867585
(3-nitro-5-phenylmethoxyphenyl)hydrazine
CID 80910196
N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine
CID 115506037
(3-nitro-5-pent-4-enoxyphenyl)hydrazine
CID 80922666
5-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-nitrobenzoic acid
CID 43128779
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline
CID 80901526
(3-nitro-5-pentan-2-yloxyphenyl)hydrazine
CID 102989748
[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353
[2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine
CID 80744445
[2-[(3-methyl-5-nitrophenoxy)methyl]cyclohexyl]methanamine
CID 115981677

Frequently Asked Questions

What is the IUPAC name of [3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine?
The IUPAC name of [3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine (CID 80914835) is [3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine.
What is the SMILES notation for [3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine?
The canonical SMILES for [3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine is CC1CC=CCC1COc1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of [3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine?
The InChIKey is DFWRZPJXQBNTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-4-2-3-5-11(10)9-20-14-7-12(16-15)6-13(8-14)17(18)19/h2-3,6-8,10-11,16H,4-5,9,15H2,1H3.
What are the key properties of [3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine?
[3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine has a molecular weight of 277.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine is sourced from PubChem (CID 80914835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).