N-(2-hydroxypropyl)-N-methylnitramide

C4H10N2O3 — CID 13262630

IUPACN-(2-hydroxypropyl)-N-methylnitramide
SMILESCC(O)CN(C)[N+](=O)[O-]
InChIInChI=1S/C4H10N2O3/c1-4(7)3-5(2)6(8)9/h4,7H,3H2,1-2H3
InChIKeyFPAZRCOSRVRSDG-UHFFFAOYSA-N
MW134.13 g/mol
LogP-0.51
Rot. Bonds3

About N-(2-hydroxypropyl)-N-methylnitramide

N-(2-hydroxypropyl)-N-methylnitramide (PubChem CID 13262630) has the molecular formula C4H10N2O3 and a molecular weight of 134.13 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methylnitramide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methylnitramide
PubChem CID13262630
Molecular FormulaC4H10N2O3
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC NameN-(2-hydroxypropyl)-N-methylnitramide
SMILESCC(O)CN(C)[N+](=O)[O-]
InChIInChI=1S/C4H10N2O3/c1-4(7)3-5(2)6(8)9/h4,7H,3H2,1-2H3
InChIKeyFPAZRCOSRVRSDG-UHFFFAOYSA-N
XLogP-0.51
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-hydroxypropyl)-N-methylnitramide?
The IUPAC name of N-(2-hydroxypropyl)-N-methylnitramide (CID 13262630) is N-(2-hydroxypropyl)-N-methylnitramide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methylnitramide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methylnitramide is CC(O)CN(C)[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxypropyl)-N-methylnitramide?
The InChIKey is FPAZRCOSRVRSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3/c1-4(7)3-5(2)6(8)9/h4,7H,3H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methylnitramide?
N-(2-hydroxypropyl)-N-methylnitramide has a molecular weight of 134.13 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methylnitramide is sourced from PubChem (CID 13262630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).