1-imino-3-(methylamino)propan-2-one

C4H8N2O — CID 90787262

IUPAC1-imino-3-(methylamino)propan-2-one
SMILES[H]/N=C/C(=O)CNC
InChIInChI=1S/C4H8N2O/c1-6-3-4(7)2-5/h2,5-6H,3H2,1H3/b5-2+
InChIKeyPXNLODUQSWZDKR-GORDUTHDSA-N
MW100.12 g/mol
LogP-0.58
Rot. Bonds3

About 1-imino-3-(methylamino)propan-2-one

1-imino-3-(methylamino)propan-2-one (PubChem CID 90787262) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 1-imino-3-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-imino-3-(methylamino)propan-2-one
PubChem CID90787262
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name1-imino-3-(methylamino)propan-2-one
SMILES[H]/N=C/C(=O)CNC
InChIInChI=1S/C4H8N2O/c1-6-3-4(7)2-5/h2,5-6H,3H2,1H3/b5-2+
InChIKeyPXNLODUQSWZDKR-GORDUTHDSA-N
XLogP-0.58
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Diazo-3-(ethylamino)propan-2-one
CID 136934996
1-(Ethylamino)-3-iminopropan-2-one
CID 123214763
1-(Dimethylamino)-3-iminopropan-2-one
CID 123662488
3-imino-N-methyl-2-oxopropanamide
CID 142182500
3-(Methylamino)-4-methyliminobutan-2-one
CID 148990479
Methanamine;1-(methylamino)propan-2-one
CID 169429634
1-Diazo-3-(propylamino)propan-2-one
CID 136931200
5-Imino-1-(methylamino)pentan-2-one
CID 163516564

Frequently Asked Questions

What is the IUPAC name of 1-imino-3-(methylamino)propan-2-one?
The IUPAC name of 1-imino-3-(methylamino)propan-2-one (CID 90787262) is 1-imino-3-(methylamino)propan-2-one.
What is the SMILES notation for 1-imino-3-(methylamino)propan-2-one?
The canonical SMILES for 1-imino-3-(methylamino)propan-2-one is [H]/N=C/C(=O)CNC.
What is the InChIKey of 1-imino-3-(methylamino)propan-2-one?
The InChIKey is PXNLODUQSWZDKR-GORDUTHDSA-N. The full InChI is InChI=1S/C4H8N2O/c1-6-3-4(7)2-5/h2,5-6H,3H2,1H3/b5-2+.
What are the key properties of 1-imino-3-(methylamino)propan-2-one?
1-imino-3-(methylamino)propan-2-one has a molecular weight of 100.12 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-3-(methylamino)propan-2-one is sourced from PubChem (CID 90787262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).