N-[(3E)-penta-1,3-dien-2-yl]nitrous amide

C5H8N2O — CID 118671498

IUPACN-[(3E)-penta-1,3-dien-2-yl]nitrous amide
SMILESC=C(/C=C/C)NN=O
InChIInChI=1S/C5H8N2O/c1-3-4-5(2)6-7-8/h3-4H,2H2,1H3,(H,6,8)/b4-3+
InChIKeyZPVVOPYRFOGVMG-ONEGZZNKSA-N
MW112.13 g/mol
LogP1.35
Rot. Bonds3

About N-[(3E)-penta-1,3-dien-2-yl]nitrous amide

N-[(3E)-penta-1,3-dien-2-yl]nitrous amide (PubChem CID 118671498) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N-[(3E)-penta-1,3-dien-2-yl]nitrous amide.

Molecular Properties

Compound NameN-[(3E)-penta-1,3-dien-2-yl]nitrous amide
PubChem CID118671498
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN-[(3E)-penta-1,3-dien-2-yl]nitrous amide
SMILESC=C(/C=C/C)NN=O
InChIInChI=1S/C5H8N2O/c1-3-4-5(2)6-7-8/h3-4H,2H2,1H3,(H,6,8)/b4-3+
InChIKeyZPVVOPYRFOGVMG-ONEGZZNKSA-N
XLogP1.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-penta-1,3-dien-2-yl]nitrous amide?
The IUPAC name of N-[(3E)-penta-1,3-dien-2-yl]nitrous amide (CID 118671498) is N-[(3E)-penta-1,3-dien-2-yl]nitrous amide.
What is the SMILES notation for N-[(3E)-penta-1,3-dien-2-yl]nitrous amide?
The canonical SMILES for N-[(3E)-penta-1,3-dien-2-yl]nitrous amide is C=C(/C=C/C)NN=O.
What is the InChIKey of N-[(3E)-penta-1,3-dien-2-yl]nitrous amide?
The InChIKey is ZPVVOPYRFOGVMG-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8N2O/c1-3-4-5(2)6-7-8/h3-4H,2H2,1H3,(H,6,8)/b4-3+.
What are the key properties of N-[(3E)-penta-1,3-dien-2-yl]nitrous amide?
N-[(3E)-penta-1,3-dien-2-yl]nitrous amide has a molecular weight of 112.13 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-penta-1,3-dien-2-yl]nitrous amide is sourced from PubChem (CID 118671498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).