N,N-bis(2-oxopropyl)nitramide

C6H10N2O4 — CID 54031313

IUPACN,N-bis(2-oxopropyl)nitramide
SMILESCC(=O)CN(CC(C)=O)[N+](=O)[O-]
InChIInChI=1S/C6H10N2O4/c1-5(9)3-7(8(11)12)4-6(2)10/h3-4H2,1-2H3
InChIKeyLFUHWIPYHHSCJA-UHFFFAOYSA-N
MW174.16 g/mol
LogP-0.34
Rot. Bonds5

About N,N-bis(2-oxopropyl)nitramide

N,N-bis(2-oxopropyl)nitramide (PubChem CID 54031313) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is N,N-bis(2-oxopropyl)nitramide.

Molecular Properties

Compound NameN,N-bis(2-oxopropyl)nitramide
PubChem CID54031313
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC NameN,N-bis(2-oxopropyl)nitramide
SMILESCC(=O)CN(CC(C)=O)[N+](=O)[O-]
InChIInChI=1S/C6H10N2O4/c1-5(9)3-7(8(11)12)4-6(2)10/h3-4H2,1-2H3
InChIKeyLFUHWIPYHHSCJA-UHFFFAOYSA-N
XLogP-0.34
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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,N-bis(2-oxopropyl)nitramide?
The IUPAC name of N,N-bis(2-oxopropyl)nitramide (CID 54031313) is N,N-bis(2-oxopropyl)nitramide.
What is the SMILES notation for N,N-bis(2-oxopropyl)nitramide?
The canonical SMILES for N,N-bis(2-oxopropyl)nitramide is CC(=O)CN(CC(C)=O)[N+](=O)[O-].
What is the InChIKey of N,N-bis(2-oxopropyl)nitramide?
The InChIKey is LFUHWIPYHHSCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-5(9)3-7(8(11)12)4-6(2)10/h3-4H2,1-2H3.
What are the key properties of N,N-bis(2-oxopropyl)nitramide?
N,N-bis(2-oxopropyl)nitramide has a molecular weight of 174.16 g/mol, XLogP of -0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-oxopropyl)nitramide is sourced from PubChem (CID 54031313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).