4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine

C15H18N4O3 — CID 87898824

IUPAC4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine
SMILESCN(C)c1ccc(C=O)cc1.NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H11NO.C6H7N3O2/c1-10(2)9-5-3-8(7-11)4-6-9;7-8-5-1-3-6(4-2-5)9(10)11/h3-7H,1-2H3;1-4,8H,7H2
InChIKeyHDBLUXOVSNRWDK-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.45
Rot. Bonds4

About 4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine

4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine (PubChem CID 87898824) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine.

Molecular Properties

Compound Name4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine
PubChem CID87898824
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine
SMILESCN(C)c1ccc(C=O)cc1.NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H11NO.C6H7N3O2/c1-10(2)9-5-3-8(7-11)4-6-9;7-8-5-1-3-6(4-2-5)9(10)11/h3-7H,1-2H3;1-4,8H,7H2
InChIKeyHDBLUXOVSNRWDK-UHFFFAOYSA-N
XLogP2.45
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline
CID 3300042
N,N-dimethyl-4-[(E)-2-[5-[5-[(E)-2-(4-nitrophenyl)ethenyl]thiophen-2-yl]sulfanylthiophen-2-yl]ethenyl]aniline
CID 10696425
N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4-nitrobenzamide
CID 6798224
(2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide
CID 2111469
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909373
4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline
CID 92907800
N-amino-N-(4-nitrophenyl)formamide
CID 88681644
1-[4-(dimethylamino)phenyl]-3-[methyl-(4-nitrophenyl)-oxo-λ6-sulfanylidene]urea
CID 59550835
2-[(E)-1-[4-(dimethylamino)phenyl]-3-(4-nitrophenyl)prop-2-enylidene]propanedinitrile
CID 25271394
4-[2-(2-iodo-4-nitrophenyl)ethenyl]-N,N-dimethylaniline
CID 72530912
4-(2,4-dinitroanilino)benzaldehyde
CID 6917279
4-[(E)-3,4-diethynyl-6-(4-nitrophenyl)hex-3-en-1,5-diynyl]-N,N-dimethylaniline
CID 101353728

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine?
The IUPAC name of 4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine (CID 87898824) is 4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine.
What is the SMILES notation for 4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine?
The canonical SMILES for 4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine is CN(C)c1ccc(C=O)cc1.NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine?
The InChIKey is HDBLUXOVSNRWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C6H7N3O2/c1-10(2)9-5-3-8(7-11)4-6-9;7-8-5-1-3-6(4-2-5)9(10)11/h3-7H,1-2H3;1-4,8H,7H2.
What are the key properties of 4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine?
4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine has a molecular weight of 302.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine is sourced from PubChem (CID 87898824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).