N-(4-oxobutyl)nitrous amide

C4H8N2O2 — CID 6455188

IUPACN-(4-oxobutyl)nitrous amide
SMILESO=CCCCNN=O
InChIInChI=1S/C4H8N2O2/c7-4-2-1-3-5-6-8/h4H,1-3H2,(H,5,8)
InChIKeyQUKAWYWEWYVPMI-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.24
Rot. Bonds5

About N-(4-oxobutyl)nitrous amide

N-(4-oxobutyl)nitrous amide (PubChem CID 6455188) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is N-(4-oxobutyl)nitrous amide.

Molecular Properties

Compound NameN-(4-oxobutyl)nitrous amide
PubChem CID6455188
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC NameN-(4-oxobutyl)nitrous amide
SMILESO=CCCCNN=O
InChIInChI=1S/C4H8N2O2/c7-4-2-1-3-5-6-8/h4H,1-3H2,(H,5,8)
InChIKeyQUKAWYWEWYVPMI-UHFFFAOYSA-N
XLogP0.24
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-oxobutylamino)guanidine
CID 19704325
pentadecanedial
CID 22887412
hydron;pentanedial
CID 87858118
pentanedial;silane
CID 173075190
hydrazine;pentanedial
CID 19882033
4-(3-aminopropylamino)butanal
CID 19913541
20-(methylamino)icosanal
CID 177224793
4-(cyclohexylamino)butanal
CID 140677611
4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066
ethane;8-(methylamino)octanal
CID 164864481
N-(4-oxobutyl)carbamate
CID 18436941
ethane;9-(methylamino)nonanal
CID 164864319

Frequently Asked Questions

What is the IUPAC name of N-(4-oxobutyl)nitrous amide?
The IUPAC name of N-(4-oxobutyl)nitrous amide (CID 6455188) is N-(4-oxobutyl)nitrous amide.
What is the SMILES notation for N-(4-oxobutyl)nitrous amide?
The canonical SMILES for N-(4-oxobutyl)nitrous amide is O=CCCCNN=O.
What is the InChIKey of N-(4-oxobutyl)nitrous amide?
The InChIKey is QUKAWYWEWYVPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c7-4-2-1-3-5-6-8/h4H,1-3H2,(H,5,8).
What are the key properties of N-(4-oxobutyl)nitrous amide?
N-(4-oxobutyl)nitrous amide has a molecular weight of 116.12 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxobutyl)nitrous amide is sourced from PubChem (CID 6455188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).