2-amino-2-(N-amino-4-nitroanilino)acetaldehyde

C8H10N4O3 — CID 88776023

IUPAC2-amino-2-(N-amino-4-nitroanilino)acetaldehyde
SMILESNC(C=O)N(N)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H10N4O3/c9-8(5-13)11(10)6-1-3-7(4-2-6)12(14)15/h1-5,8H,9-10H2
InChIKeyUVBFTZQOTPUUOG-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.24
Rot. Bonds4

About 2-amino-2-(N-amino-4-nitroanilino)acetaldehyde

2-amino-2-(N-amino-4-nitroanilino)acetaldehyde (PubChem CID 88776023) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-amino-2-(N-amino-4-nitroanilino)acetaldehyde.

Molecular Properties

Compound Name2-amino-2-(N-amino-4-nitroanilino)acetaldehyde
PubChem CID88776023
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name2-amino-2-(N-amino-4-nitroanilino)acetaldehyde
SMILESNC(C=O)N(N)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H10N4O3/c9-8(5-13)11(10)6-1-3-7(4-2-6)12(14)15/h1-5,8H,9-10H2
InChIKeyUVBFTZQOTPUUOG-UHFFFAOYSA-N
XLogP-0.24
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-amino-N-(4-nitrophenyl)formamide
CID 88681644
2-(dimethylamino)-2-(4-nitro-N-propan-2-ylanilino)acetaldehyde
CID 174458787
azane;formic acid;4-nitroaniline
CID 175013455
1-nitro-2-(4-nitrophenyl)ethanamine
CID 87584339
N,N-dichloro-4-nitroaniline;molecular nitrogen
CID 174775109
1-chloro-2-(4-nitrophenyl)ethanamine
CID 70573232
(2S)-2-amino-N,3-dimethyl-N-(4-nitrophenyl)butanamide
CID 61148819
[4-[2-(4-nitrophenyl)ethynyl]-N-(sulfanylmethyl)anilino]methanethiol
CID 139128225
2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine
CID 89352542
2-[N-(carboxymethyl)-4-nitroanilino]acetic acid
CID 21205647
2-(4-nitrophenyl)-3-oxopropanenitrile
CID 54504719
N,N-diethyl-4-(4-nitrophenyl)aniline
CID 21449597

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(N-amino-4-nitroanilino)acetaldehyde?
The IUPAC name of 2-amino-2-(N-amino-4-nitroanilino)acetaldehyde (CID 88776023) is 2-amino-2-(N-amino-4-nitroanilino)acetaldehyde.
What is the SMILES notation for 2-amino-2-(N-amino-4-nitroanilino)acetaldehyde?
The canonical SMILES for 2-amino-2-(N-amino-4-nitroanilino)acetaldehyde is NC(C=O)N(N)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-2-(N-amino-4-nitroanilino)acetaldehyde?
The InChIKey is UVBFTZQOTPUUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-8(5-13)11(10)6-1-3-7(4-2-6)12(14)15/h1-5,8H,9-10H2.
What are the key properties of 2-amino-2-(N-amino-4-nitroanilino)acetaldehyde?
2-amino-2-(N-amino-4-nitroanilino)acetaldehyde has a molecular weight of 210.19 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(N-amino-4-nitroanilino)acetaldehyde is sourced from PubChem (CID 88776023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).