N-nitro-N-prop-2-enylformamide

C4H6N2O3 — CID 173242570

IUPACN-nitro-N-prop-2-enylformamide
SMILESC=CCN(C=O)[N+](=O)[O-]
InChIInChI=1S/C4H6N2O3/c1-2-3-5(4-7)6(8)9/h2,4H,1,3H2
InChIKeyLSSKOABJQFSBNA-UHFFFAOYSA-N
MW130.10 g/mol
LogP-0.18
Rot. Bonds4

About N-nitro-N-prop-2-enylformamide

N-nitro-N-prop-2-enylformamide (PubChem CID 173242570) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is N-nitro-N-prop-2-enylformamide.

Molecular Properties

Compound NameN-nitro-N-prop-2-enylformamide
PubChem CID173242570
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC NameN-nitro-N-prop-2-enylformamide
SMILESC=CCN(C=O)[N+](=O)[O-]
InChIInChI=1S/C4H6N2O3/c1-2-3-5(4-7)6(8)9/h2,4H,1,3H2
InChIKeyLSSKOABJQFSBNA-UHFFFAOYSA-N
XLogP-0.18
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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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Frequently Asked Questions

What is the IUPAC name of N-nitro-N-prop-2-enylformamide?
The IUPAC name of N-nitro-N-prop-2-enylformamide (CID 173242570) is N-nitro-N-prop-2-enylformamide.
What is the SMILES notation for N-nitro-N-prop-2-enylformamide?
The canonical SMILES for N-nitro-N-prop-2-enylformamide is C=CCN(C=O)[N+](=O)[O-].
What is the InChIKey of N-nitro-N-prop-2-enylformamide?
The InChIKey is LSSKOABJQFSBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c1-2-3-5(4-7)6(8)9/h2,4H,1,3H2.
What are the key properties of N-nitro-N-prop-2-enylformamide?
N-nitro-N-prop-2-enylformamide has a molecular weight of 130.10 g/mol, XLogP of -0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-nitro-N-prop-2-enylformamide is sourced from PubChem (CID 173242570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).