N-cyclobutyl-N-nitrosoacetamide

C6H10N2O2 — CID 119097713

IUPACN-cyclobutyl-N-nitrosoacetamide
SMILESCC(=O)N(N=O)C1CCC1
InChIInChI=1S/C6H10N2O2/c1-5(9)8(7-10)6-3-2-4-6/h6H,2-4H2,1H3
InChIKeyHIAOSUUFUDUJEZ-UHFFFAOYSA-N
MW142.16 g/mol
LogP1.07
Rot. Bonds2

About N-cyclobutyl-N-nitrosoacetamide

N-cyclobutyl-N-nitrosoacetamide (PubChem CID 119097713) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-cyclobutyl-N-nitrosoacetamide.

Molecular Properties

Compound NameN-cyclobutyl-N-nitrosoacetamide
PubChem CID119097713
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-cyclobutyl-N-nitrosoacetamide
SMILESCC(=O)N(N=O)C1CCC1
InChIInChI=1S/C6H10N2O2/c1-5(9)8(7-10)6-3-2-4-6/h6H,2-4H2,1H3
InChIKeyHIAOSUUFUDUJEZ-UHFFFAOYSA-N
XLogP1.07
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 51.07
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

N-cyclohexyl-N-nitrosoacetamide
CID 13464904
1-cyclopropyl-3-methyl-1-nitrosourea
CID 139944724
N-cyclononyl-N-hydroxyacetamide
CID 135197506
CID 164812897
CID 164812897
N-cyclohexylacetohydrazide
CID 89012430
N-cyclobutyl-N-(2-methylpropyl)acetamide
CID 143031247
N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072
N-(azetidin-3-yl)-N-cyclobutylacetamide
CID 164644849
N,N-dicyclohexylnitrous amide
CID 13697
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
N-cyclohexyl-N-(1-hydroxycyclohexyl)acetamide
CID 67938352

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-nitrosoacetamide?
The IUPAC name of N-cyclobutyl-N-nitrosoacetamide (CID 119097713) is N-cyclobutyl-N-nitrosoacetamide.
What is the SMILES notation for N-cyclobutyl-N-nitrosoacetamide?
The canonical SMILES for N-cyclobutyl-N-nitrosoacetamide is CC(=O)N(N=O)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-nitrosoacetamide?
The InChIKey is HIAOSUUFUDUJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5(9)8(7-10)6-3-2-4-6/h6H,2-4H2,1H3.
What are the key properties of N-cyclobutyl-N-nitrosoacetamide?
N-cyclobutyl-N-nitrosoacetamide has a molecular weight of 142.16 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-nitrosoacetamide is sourced from PubChem (CID 119097713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).