N-propylidenenitramide

C3H6N2O2 — CID 173232396

IUPACN-propylidenenitramide
SMILESCCC=N[N+](=O)[O-]
InChIInChI=1S/C3H6N2O2/c1-2-3-4-5(6)7/h3H,2H2,1H3
InChIKeyBUGUODZGUKOSSF-UHFFFAOYSA-N
MW102.09 g/mol
LogP0.66
Rot. Bonds2

About N-propylidenenitramide

N-propylidenenitramide (PubChem CID 173232396) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is N-propylidenenitramide.

Molecular Properties

Compound NameN-propylidenenitramide
PubChem CID173232396
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC NameN-propylidenenitramide
SMILESCCC=N[N+](=O)[O-]
InChIInChI=1S/C3H6N2O2/c1-2-3-4-5(6)7/h3H,2H2,1H3
InChIKeyBUGUODZGUKOSSF-UHFFFAOYSA-N
XLogP0.66
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

(NE)-N-ethylidenenitramide
CID 144965616
2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine
CID 57415329
1-nitro(113C)ethane
CID 71309579
ethyl 1-[(3E)-3-nitroiminopropyl]-2-oxocyclohexane-1-carboxylate
CID 23377742
(E)-2-nitrohex-1-en-1-amine
CID 163564663
methane;1-nitroethane;tetrahydrochloride
CID 173016040
1-nitroethylphosphane
CID 89147319
azanium;ethanol;nitrate
CID 172727764
ethyl N,N-dimethyl-N'-nitrocarbamimidate
CID 87633154
N-(2-nitroethenyl)pentan-1-amine
CID 173120681
N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide
CID 173360206
1-nitro-1-(1-nitropentylsulfanyl)pentane
CID 87931277

Frequently Asked Questions

What is the IUPAC name of N-propylidenenitramide?
The IUPAC name of N-propylidenenitramide (CID 173232396) is N-propylidenenitramide.
What is the SMILES notation for N-propylidenenitramide?
The canonical SMILES for N-propylidenenitramide is CCC=N[N+](=O)[O-].
What is the InChIKey of N-propylidenenitramide?
The InChIKey is BUGUODZGUKOSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2/c1-2-3-4-5(6)7/h3H,2H2,1H3.
What are the key properties of N-propylidenenitramide?
N-propylidenenitramide has a molecular weight of 102.09 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylidenenitramide is sourced from PubChem (CID 173232396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).