N-(1-amino-1,3-diiminopropan-2-yl)acetamide

C5H10N4O — CID 123709367

IUPACN-(1-amino-1,3-diiminopropan-2-yl)acetamide
SMILES[H]/N=C(\N)C(/C=N/[H])NC(C)=O
InChIInChI=1S/C5H10N4O/c1-3(10)9-4(2-6)5(7)8/h2,4,6H,1H3,(H3,7,8)(H,9,10)/b6-2+
InChIKeyLMCQPDTUMKTUCY-QHHAFSJGSA-N
MW142.16 g/mol
LogP-0.92
Rot. Bonds3

About N-(1-amino-1,3-diiminopropan-2-yl)acetamide

N-(1-amino-1,3-diiminopropan-2-yl)acetamide (PubChem CID 123709367) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is N-(1-amino-1,3-diiminopropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-1,3-diiminopropan-2-yl)acetamide
PubChem CID123709367
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC NameN-(1-amino-1,3-diiminopropan-2-yl)acetamide
SMILES[H]/N=C(\N)C(/C=N/[H])NC(C)=O
InChIInChI=1S/C5H10N4O/c1-3(10)9-4(2-6)5(7)8/h2,4,6H,1H3,(H3,7,8)(H,9,10)/b6-2+
InChIKeyLMCQPDTUMKTUCY-QHHAFSJGSA-N
XLogP-0.92
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-amino-1,3-diiminopropan-2-yl)acetamide?
The IUPAC name of N-(1-amino-1,3-diiminopropan-2-yl)acetamide (CID 123709367) is N-(1-amino-1,3-diiminopropan-2-yl)acetamide.
What is the SMILES notation for N-(1-amino-1,3-diiminopropan-2-yl)acetamide?
The canonical SMILES for N-(1-amino-1,3-diiminopropan-2-yl)acetamide is [H]/N=C(\N)C(/C=N/[H])NC(C)=O.
What is the InChIKey of N-(1-amino-1,3-diiminopropan-2-yl)acetamide?
The InChIKey is LMCQPDTUMKTUCY-QHHAFSJGSA-N. The full InChI is InChI=1S/C5H10N4O/c1-3(10)9-4(2-6)5(7)8/h2,4,6H,1H3,(H3,7,8)(H,9,10)/b6-2+.
What are the key properties of N-(1-amino-1,3-diiminopropan-2-yl)acetamide?
N-(1-amino-1,3-diiminopropan-2-yl)acetamide has a molecular weight of 142.16 g/mol, XLogP of -0.92, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1,3-diiminopropan-2-yl)acetamide is sourced from PubChem (CID 123709367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).