1-nitrosocyclobutane-1-carboxamide

C5H8N2O2 — CID 87070126

IUPAC1-nitrosocyclobutane-1-carboxamide
SMILESNC(=O)C1(N=O)CCC1
InChIInChI=1S/C5H8N2O2/c6-4(8)5(7-9)2-1-3-5/h1-3H2,(H2,6,8)
InChIKeyNYGGYZXYDCEVNC-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.16
Rot. Bonds2

About 1-nitrosocyclobutane-1-carboxamide

1-nitrosocyclobutane-1-carboxamide (PubChem CID 87070126) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 1-nitrosocyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-nitrosocyclobutane-1-carboxamide
PubChem CID87070126
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name1-nitrosocyclobutane-1-carboxamide
SMILESNC(=O)C1(N=O)CCC1
InChIInChI=1S/C5H8N2O2/c6-4(8)5(7-9)2-1-3-5/h1-3H2,(H2,6,8)
InChIKeyNYGGYZXYDCEVNC-UHFFFAOYSA-N
XLogP0.16
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-nitrosocyclobutane-1-carboxamide?
The IUPAC name of 1-nitrosocyclobutane-1-carboxamide (CID 87070126) is 1-nitrosocyclobutane-1-carboxamide.
What is the SMILES notation for 1-nitrosocyclobutane-1-carboxamide?
The canonical SMILES for 1-nitrosocyclobutane-1-carboxamide is NC(=O)C1(N=O)CCC1.
What is the InChIKey of 1-nitrosocyclobutane-1-carboxamide?
The InChIKey is NYGGYZXYDCEVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c6-4(8)5(7-9)2-1-3-5/h1-3H2,(H2,6,8).
What are the key properties of 1-nitrosocyclobutane-1-carboxamide?
1-nitrosocyclobutane-1-carboxamide has a molecular weight of 128.13 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitrosocyclobutane-1-carboxamide is sourced from PubChem (CID 87070126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).