3-nitro-2-nitrosopropanamide

C3H5N3O4 — CID 57020615

IUPAC3-nitro-2-nitrosopropanamide
SMILESNC(=O)C(C[N+](=O)[O-])N=O
InChIInChI=1S/C3H5N3O4/c4-3(7)2(5-8)1-6(9)10/h2H,1H2,(H2,4,7)
InChIKeyDMCKQSYGNSRQBZ-UHFFFAOYSA-N
MW147.09 g/mol
LogP-1.12
Rot. Bonds4

About 3-nitro-2-nitrosopropanamide

3-nitro-2-nitrosopropanamide (PubChem CID 57020615) has the molecular formula C3H5N3O4 and a molecular weight of 147.09 g/mol. Its IUPAC name is 3-nitro-2-nitrosopropanamide.

Molecular Properties

Compound Name3-nitro-2-nitrosopropanamide
PubChem CID57020615
Molecular FormulaC3H5N3O4
Molecular Weight147.09 g/mol
Exact Mass147.03
IUPAC Name3-nitro-2-nitrosopropanamide
SMILESNC(=O)C(C[N+](=O)[O-])N=O
InChIInChI=1S/C3H5N3O4/c4-3(7)2(5-8)1-6(9)10/h2H,1H2,(H2,4,7)
InChIKeyDMCKQSYGNSRQBZ-UHFFFAOYSA-N
XLogP-1.12
TPSA115.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.09
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-nitro-2-nitrosopent-3-enamide
CID 57239396
1-chloro-3-nitro-2-nitrosopropane
CID 55303793
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3-bromo-4-nitrobutan-2-one
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CID 91482682
azanium;urea;nitrate
CID 10130003
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CID 163580845
azanium;urea;nitrate
CID 172844548
ethyl (2S)-3-methyl-2-(nitromethyl)butanoate
CID 102392020
3-nitro-2-[2-(trifluoromethyl)phenyl]propanamide
CID 174642340
1-nitrobutan-2-amine
CID 22561429

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-nitrosopropanamide?
The IUPAC name of 3-nitro-2-nitrosopropanamide (CID 57020615) is 3-nitro-2-nitrosopropanamide.
What is the SMILES notation for 3-nitro-2-nitrosopropanamide?
The canonical SMILES for 3-nitro-2-nitrosopropanamide is NC(=O)C(C[N+](=O)[O-])N=O.
What is the InChIKey of 3-nitro-2-nitrosopropanamide?
The InChIKey is DMCKQSYGNSRQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O4/c4-3(7)2(5-8)1-6(9)10/h2H,1H2,(H2,4,7).
What are the key properties of 3-nitro-2-nitrosopropanamide?
3-nitro-2-nitrosopropanamide has a molecular weight of 147.09 g/mol, XLogP of -1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-nitrosopropanamide is sourced from PubChem (CID 57020615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).