1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine

C11H15N3O3 — CID 105498881

IUPAC1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine
SMILESNN(c1ccc([N+](=O)[O-])cc1)C1CCOCC1
InChIInChI=1S/C11H15N3O3/c12-13(10-5-7-17-8-6-10)9-1-3-11(4-2-9)14(15)16/h1-4,10H,5-8,12H2
InChIKeyOKEKQSBTMBHLIC-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.45
Rot. Bonds3

About 1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine

1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine (PubChem CID 105498881) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine
PubChem CID105498881
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine
SMILESNN(c1ccc([N+](=O)[O-])cc1)C1CCOCC1
InChIInChI=1S/C11H15N3O3/c12-13(10-5-7-17-8-6-10)9-1-3-11(4-2-9)14(15)16/h1-4,10H,5-8,12H2
InChIKeyOKEKQSBTMBHLIC-UHFFFAOYSA-N
XLogP1.45
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
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

4-[(4-nitrophenyl)sulfonylmethyl]oxane
CID 137476905
4-(4-nitrophenoxy)oxane
CID 118705229
N-(4-nitrophenyl)oxan-4-amine
CID 43610359
N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 79119011
2-[methyl(oxolan-3-yl)amino]-1-(4-nitrophenyl)ethanone
CID 82742955
2-hydrazinyl-N-methyl-5-nitro-N-(oxan-4-yl)benzamide
CID 62236333
N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-N-(4-nitrophenyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine
CID 139125077
N-amino-N-(4-nitrophenyl)formamide
CID 88681644
4-(N-methyl-4-nitroanilino)cyclohexan-1-one
CID 79120446
2-[methyl(oxolan-3-yl)amino]-5-nitrobenzoic acid
CID 82740438
(E)-3-(4-nitrophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 90554786
N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine
CID 63301700

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine?
The IUPAC name of 1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine (CID 105498881) is 1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine.
What is the SMILES notation for 1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine?
The canonical SMILES for 1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine is NN(c1ccc([N+](=O)[O-])cc1)C1CCOCC1.
What is the InChIKey of 1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine?
The InChIKey is OKEKQSBTMBHLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-13(10-5-7-17-8-6-10)9-1-3-11(4-2-9)14(15)16/h1-4,10H,5-8,12H2.
What are the key properties of 1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine?
1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine has a molecular weight of 237.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine is sourced from PubChem (CID 105498881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).