2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide

C11H14BrN3O2 — CID 71359909

IUPAC2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide
SMILESCC(C)(C)C(Br)=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14BrN3O2/c1-11(2,3)10(12)14-13-8-4-6-9(7-5-8)15(16)17/h4-7,13H,1-3H3
InChIKeyAKDPZNCRWZWPLY-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.76
Rot. Bonds3

About 2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide

2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide (PubChem CID 71359909) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide
PubChem CID71359909
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide
SMILESCC(C)(C)C(Br)=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14BrN3O2/c1-11(2,3)10(12)14-13-8-4-6-9(7-5-8)15(16)17/h4-7,13H,1-3H3
InChIKeyAKDPZNCRWZWPLY-UHFFFAOYSA-N
XLogP3.76
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
N-(4-nitroanilino)ethanimidoyl cyanide
CID 150448638
N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline
CID 6373786
N-[1-(4-bromophenyl)ethylideneamino]-4-nitroaniline
CID 607339
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
(1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonoyl bromide
CID 11348604
2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide
CID 2771528
4-tert-butyl-2-[(Z)-C-methyl-N-(4-nitroanilino)carbonimidoyl]phenol
CID 136671588
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
(1Z)-4-nitro-N-(4-nitroanilino)benzenecarboximidoyl cyanide
CID 12706509
(3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide
CID 15681749
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide?
The IUPAC name of 2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide (CID 71359909) is 2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide.
What is the SMILES notation for 2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide?
The canonical SMILES for 2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide is CC(C)(C)C(Br)=NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide?
The InChIKey is AKDPZNCRWZWPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-11(2,3)10(12)14-13-8-4-6-9(7-5-8)15(16)17/h4-7,13H,1-3H3.
What are the key properties of 2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide?
2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide has a molecular weight of 300.16 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide is sourced from PubChem (CID 71359909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).