N-nitroso-N-prop-2-ynylacetamide

C5H6N2O2 — CID 15169450

IUPACN-nitroso-N-prop-2-ynylacetamide
SMILESC#CCN(N=O)C(C)=O
InChIInChI=1S/C5H6N2O2/c1-3-4-7(6-9)5(2)8/h1H,4H2,2H3
InChIKeyHIKMTOIBEHOYSN-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.15
Rot. Bonds2

About N-nitroso-N-prop-2-ynylacetamide

N-nitroso-N-prop-2-ynylacetamide (PubChem CID 15169450) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is N-nitroso-N-prop-2-ynylacetamide.

Molecular Properties

Compound NameN-nitroso-N-prop-2-ynylacetamide
PubChem CID15169450
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC NameN-nitroso-N-prop-2-ynylacetamide
SMILESC#CCN(N=O)C(C)=O
InChIInChI=1S/C5H6N2O2/c1-3-4-7(6-9)5(2)8/h1H,4H2,2H3
InChIKeyHIKMTOIBEHOYSN-UHFFFAOYSA-N
XLogP0.15
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.15
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-nitroso-N-prop-2-ynylacetamide?
The IUPAC name of N-nitroso-N-prop-2-ynylacetamide (CID 15169450) is N-nitroso-N-prop-2-ynylacetamide.
What is the SMILES notation for N-nitroso-N-prop-2-ynylacetamide?
The canonical SMILES for N-nitroso-N-prop-2-ynylacetamide is C#CCN(N=O)C(C)=O.
What is the InChIKey of N-nitroso-N-prop-2-ynylacetamide?
The InChIKey is HIKMTOIBEHOYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-4-7(6-9)5(2)8/h1H,4H2,2H3.
What are the key properties of N-nitroso-N-prop-2-ynylacetamide?
N-nitroso-N-prop-2-ynylacetamide has a molecular weight of 126.11 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-nitroso-N-prop-2-ynylacetamide is sourced from PubChem (CID 15169450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).