3-nitrosobut-1-en-2-amine

C4H8N2O — CID 143474262

IUPAC3-nitrosobut-1-en-2-amine
SMILESC=C(N)C(C)N=O
InChIInChI=1S/C4H8N2O/c1-3(5)4(2)6-7/h4H,1,5H2,2H3
InChIKeyGLBGTKTXFRPLIS-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.61
Rot. Bonds2

About 3-nitrosobut-1-en-2-amine

3-nitrosobut-1-en-2-amine (PubChem CID 143474262) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-nitrosobut-1-en-2-amine.

Molecular Properties

Compound Name3-nitrosobut-1-en-2-amine
PubChem CID143474262
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name3-nitrosobut-1-en-2-amine
SMILESC=C(N)C(C)N=O
InChIInChI=1S/C4H8N2O/c1-3(5)4(2)6-7/h4H,1,5H2,2H3
InChIKeyGLBGTKTXFRPLIS-UHFFFAOYSA-N
XLogP0.61
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-nitrosobut-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-nitrosobut-1-en-2-amine?
The IUPAC name of 3-nitrosobut-1-en-2-amine (CID 143474262) is 3-nitrosobut-1-en-2-amine.
What is the SMILES notation for 3-nitrosobut-1-en-2-amine?
The canonical SMILES for 3-nitrosobut-1-en-2-amine is C=C(N)C(C)N=O.
What is the InChIKey of 3-nitrosobut-1-en-2-amine?
The InChIKey is GLBGTKTXFRPLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3(5)4(2)6-7/h4H,1,5H2,2H3.
What are the key properties of 3-nitrosobut-1-en-2-amine?
3-nitrosobut-1-en-2-amine has a molecular weight of 100.12 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrosobut-1-en-2-amine is sourced from PubChem (CID 143474262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).