N-butan-2-yl-N-nitrosoacetamide

C6H12N2O2 — CID 87066540

IUPACN-butan-2-yl-N-nitrosoacetamide
SMILESCCC(C)N(N=O)C(C)=O
InChIInChI=1S/C6H12N2O2/c1-4-5(2)8(7-10)6(3)9/h5H,4H2,1-3H3
InChIKeyKGJIPTBGFCRJNC-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.31
Rot. Bonds3

About N-butan-2-yl-N-nitrosoacetamide

N-butan-2-yl-N-nitrosoacetamide (PubChem CID 87066540) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-butan-2-yl-N-nitrosoacetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-nitrosoacetamide
PubChem CID87066540
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-butan-2-yl-N-nitrosoacetamide
SMILESCCC(C)N(N=O)C(C)=O
InChIInChI=1S/C6H12N2O2/c1-4-5(2)8(7-10)6(3)9/h5H,4H2,1-3H3
InChIKeyKGJIPTBGFCRJNC-UHFFFAOYSA-N
XLogP1.31
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-[butan-2-yl(ethyl)amino]butan-2-one
CID 43795933
N'-acetyl-N'-butan-2-ylacetohydrazide
CID 170007256
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide
CID 12914710
N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide
CID 87110437
acetic acid;2-methylbutane
CID 172862544
N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
3-nitrosopentan-2-one
CID 54457186
acetic acid;bis(butan-2-ol)
CID 139558658
N-acetyl-N,2-dimethylbutanamide;ethane
CID 177191863
N-butan-2-yl-N-cycloheptylacetamide
CID 102519619
N-acetyl-N-(1-aminopropan-2-yl)acetamide
CID 71330425

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-nitrosoacetamide?
The IUPAC name of N-butan-2-yl-N-nitrosoacetamide (CID 87066540) is N-butan-2-yl-N-nitrosoacetamide.
What is the SMILES notation for N-butan-2-yl-N-nitrosoacetamide?
The canonical SMILES for N-butan-2-yl-N-nitrosoacetamide is CCC(C)N(N=O)C(C)=O.
What is the InChIKey of N-butan-2-yl-N-nitrosoacetamide?
The InChIKey is KGJIPTBGFCRJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4-5(2)8(7-10)6(3)9/h5H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-N-nitrosoacetamide?
N-butan-2-yl-N-nitrosoacetamide has a molecular weight of 144.17 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-nitrosoacetamide is sourced from PubChem (CID 87066540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).