N-(1-aminopropylidene)acetamide

C5H10N2O — CID 55289163

IUPACN-(1-aminopropylidene)acetamide
SMILESCC/C(N)=N\C(C)=O
InChIInChI=1S/C5H10N2O/c1-3-5(6)7-4(2)8/h3H2,1-2H3,(H2,6,7,8)
InChIKeyWOQIZWQVYVWAMK-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.30
Rot. Bonds1

About N-(1-aminopropylidene)acetamide

N-(1-aminopropylidene)acetamide (PubChem CID 55289163) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-(1-aminopropylidene)acetamide.

Molecular Properties

Compound NameN-(1-aminopropylidene)acetamide
PubChem CID55289163
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-(1-aminopropylidene)acetamide
SMILESCC/C(N)=N\C(C)=O
InChIInChI=1S/C5H10N2O/c1-3-5(6)7-4(2)8/h3H2,1-2H3,(H2,6,7,8)
InChIKeyWOQIZWQVYVWAMK-UHFFFAOYSA-N
XLogP0.30
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropylidene)acetamide?
The IUPAC name of N-(1-aminopropylidene)acetamide (CID 55289163) is N-(1-aminopropylidene)acetamide.
What is the SMILES notation for N-(1-aminopropylidene)acetamide?
The canonical SMILES for N-(1-aminopropylidene)acetamide is CC/C(N)=N\C(C)=O.
What is the InChIKey of N-(1-aminopropylidene)acetamide?
The InChIKey is WOQIZWQVYVWAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-5(6)7-4(2)8/h3H2,1-2H3,(H2,6,7,8).
What are the key properties of N-(1-aminopropylidene)acetamide?
N-(1-aminopropylidene)acetamide has a molecular weight of 114.15 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropylidene)acetamide is sourced from PubChem (CID 55289163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).