3-amino-3-imino-N-methylpropanamide

C4H9N3O — CID 53277858

IUPAC3-amino-3-imino-N-methylpropanamide
SMILES[H]/N=C(\N)CC(=O)NC
InChIInChI=1S/C4H9N3O/c1-7-4(8)2-3(5)6/h2H2,1H3,(H3,5,6)(H,7,8)
InChIKeyPZKZNGDDVRVCRN-UHFFFAOYSA-N
MW115.14 g/mol
LogP-0.94
Rot. Bonds2

About 3-amino-3-imino-N-methylpropanamide

3-amino-3-imino-N-methylpropanamide (PubChem CID 53277858) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 3-amino-3-imino-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-3-imino-N-methylpropanamide
PubChem CID53277858
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name3-amino-3-imino-N-methylpropanamide
SMILES[H]/N=C(\N)CC(=O)NC
InChIInChI=1S/C4H9N3O/c1-7-4(8)2-3(5)6/h2H2,1H3,(H3,5,6)(H,7,8)
InChIKeyPZKZNGDDVRVCRN-UHFFFAOYSA-N
XLogP-0.94
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 3-amino-3-imino-N-methylpropanamide?
The IUPAC name of 3-amino-3-imino-N-methylpropanamide (CID 53277858) is 3-amino-3-imino-N-methylpropanamide.
What is the SMILES notation for 3-amino-3-imino-N-methylpropanamide?
The canonical SMILES for 3-amino-3-imino-N-methylpropanamide is [H]/N=C(\N)CC(=O)NC.
What is the InChIKey of 3-amino-3-imino-N-methylpropanamide?
The InChIKey is PZKZNGDDVRVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-7-4(8)2-3(5)6/h2H2,1H3,(H3,5,6)(H,7,8).
What are the key properties of 3-amino-3-imino-N-methylpropanamide?
3-amino-3-imino-N-methylpropanamide has a molecular weight of 115.14 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-imino-N-methylpropanamide is sourced from PubChem (CID 53277858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).