N-(3-aminopropa-1,2-dienyl)acetamide

C5H8N2O — CID 176537565

IUPACN-(3-aminopropa-1,2-dienyl)acetamide
SMILESCC(=O)NC=C=CN
InChIInChI=1S/C5H8N2O/c1-5(8)7-4-2-3-6/h3-4H,6H2,1H3,(H,7,8)
InChIKeyYLAVZRLICUYHJR-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.29
Rot. Bonds1

About N-(3-aminopropa-1,2-dienyl)acetamide

N-(3-aminopropa-1,2-dienyl)acetamide (PubChem CID 176537565) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N-(3-aminopropa-1,2-dienyl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropa-1,2-dienyl)acetamide
PubChem CID176537565
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN-(3-aminopropa-1,2-dienyl)acetamide
SMILESCC(=O)NC=C=CN
InChIInChI=1S/C5H8N2O/c1-5(8)7-4-2-3-6/h3-4H,6H2,1H3,(H,7,8)
InChIKeyYLAVZRLICUYHJR-UHFFFAOYSA-N
XLogP-0.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropa-1,2-dienyl)acetamide?
The IUPAC name of N-(3-aminopropa-1,2-dienyl)acetamide (CID 176537565) is N-(3-aminopropa-1,2-dienyl)acetamide.
What is the SMILES notation for N-(3-aminopropa-1,2-dienyl)acetamide?
The canonical SMILES for N-(3-aminopropa-1,2-dienyl)acetamide is CC(=O)NC=C=CN.
What is the InChIKey of N-(3-aminopropa-1,2-dienyl)acetamide?
The InChIKey is YLAVZRLICUYHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-5(8)7-4-2-3-6/h3-4H,6H2,1H3,(H,7,8).
What are the key properties of N-(3-aminopropa-1,2-dienyl)acetamide?
N-(3-aminopropa-1,2-dienyl)acetamide has a molecular weight of 112.13 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropa-1,2-dienyl)acetamide is sourced from PubChem (CID 176537565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).