N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide

C5H10N2O3 — CID 3794522

IUPACN-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide
SMILESCC(=O)CN(CCO)N=O
InChIInChI=1S/C5H10N2O3/c1-5(9)4-7(6-10)2-3-8/h8H,2-4H2,1H3
InChIKeyPTFPKIPNOCKCFE-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.45
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide

N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide (PubChem CID 3794522) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide
PubChem CID3794522
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC NameN-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide
SMILESCC(=O)CN(CCO)N=O
InChIInChI=1S/C5H10N2O3/c1-5(9)4-7(6-10)2-3-8/h8H,2-4H2,1H3
InChIKeyPTFPKIPNOCKCFE-UHFFFAOYSA-N
XLogP-0.45
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide
CID 3792964
N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide
CID 175674488
3-[ethyl(nitroso)amino]propanamide
CID 172967454
N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide
CID 15211329
1-[5-hydroxypentyl(methyl)amino]propan-2-one
CID 107201025
1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one
CID 145348715
1-[bis(2-oxopropyl)amino]propan-2-one;hydrate
CID 88695571
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
N-(2-hydroxyethyl)-N-(propan-2-ylideneamino)acetamide
CID 130126252
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
6-[bis(2-hydroxyethyl)amino]hexan-2-one
CID 62050853
bis(ethane-1,2-diol);bis(propan-2-one)
CID 158462178

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide (CID 3794522) is N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide is CC(=O)CN(CCO)N=O.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide?
The InChIKey is PTFPKIPNOCKCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-5(9)4-7(6-10)2-3-8/h8H,2-4H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide?
N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide has a molecular weight of 146.15 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide is sourced from PubChem (CID 3794522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).