1-ethyl-2-nitro-1-nitrosoguanidine

C3H7N5O3 — CID 20238

IUPAC1-ethyl-2-nitro-1-nitrosoguanidine
SMILESCCN(N=O)C(N)=N[N+](=O)[O-]
InChIInChI=1S/C3H7N5O3/c1-2-7(6-9)3(4)5-8(10)11/h2H2,1H3,(H2,4,5)
InChIKeyZGONASGBWOJHDD-UHFFFAOYSA-N
MW161.12 g/mol
LogP-0.50
Rot. Bonds3

About 1-ethyl-2-nitro-1-nitrosoguanidine

1-ethyl-2-nitro-1-nitrosoguanidine (PubChem CID 20238) has the molecular formula C3H7N5O3 and a molecular weight of 161.12 g/mol. Its IUPAC name is 1-ethyl-2-nitro-1-nitrosoguanidine.

Molecular Properties

Compound Name1-ethyl-2-nitro-1-nitrosoguanidine
PubChem CID20238
Molecular FormulaC3H7N5O3
Molecular Weight161.12 g/mol
Exact Mass161.05
IUPAC Name1-ethyl-2-nitro-1-nitrosoguanidine
SMILESCCN(N=O)C(N)=N[N+](=O)[O-]
InChIInChI=1S/C3H7N5O3/c1-2-7(6-9)3(4)5-8(10)11/h2H2,1H3,(H2,4,5)
InChIKeyZGONASGBWOJHDD-UHFFFAOYSA-N
XLogP-0.50
TPSA114.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine
CID 5487022
2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine
CID 57415329
1-ethyl-1-nitrosourea
CID 159023173
1-(hydroxyamino)-1-methyl-2-nitroguanidine
CID 135545577
N'-nitroethanimidamide
CID 90887679
ethyl N,N-dimethyl-N'-nitrocarbamimidate
CID 87633154
1-(2-bromoethyl)-1-(hydroxyamino)-2-nitroguanidine
CID 135467398
N-nitro-1-propoxymethanimidic acid
CID 175684402
(E)-4-nitrohex-3-en-3-amine
CID 102061300
1-butyl-2-nitroguanidine
CID 135996675
methyl N-methyl-N-[[(N'-nitrocarbamimidoyl)amino]methyl]carbamate
CID 135498149
methyl N,N-dimethyl-N'-nitrocarbamimidothioate
CID 73470834

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-nitro-1-nitrosoguanidine?
The IUPAC name of 1-ethyl-2-nitro-1-nitrosoguanidine (CID 20238) is 1-ethyl-2-nitro-1-nitrosoguanidine.
What is the SMILES notation for 1-ethyl-2-nitro-1-nitrosoguanidine?
The canonical SMILES for 1-ethyl-2-nitro-1-nitrosoguanidine is CCN(N=O)C(N)=N[N+](=O)[O-].
What is the InChIKey of 1-ethyl-2-nitro-1-nitrosoguanidine?
The InChIKey is ZGONASGBWOJHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5O3/c1-2-7(6-9)3(4)5-8(10)11/h2H2,1H3,(H2,4,5).
What are the key properties of 1-ethyl-2-nitro-1-nitrosoguanidine?
1-ethyl-2-nitro-1-nitrosoguanidine has a molecular weight of 161.12 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-nitro-1-nitrosoguanidine is sourced from PubChem (CID 20238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).