1-deuterio-2-(methylamino)ethanone

C3H7NO — CID 59078551

IUPAC1-deuterio-2-(methylamino)ethanone
SMILES[2H]C(=O)CNC
InChIInChI=1S/C3H7NO/c1-4-2-3-5/h3-4H,2H2,1H3/i3D
InChIKeyKZMQZFPRPILIHO-WFVSFCRTSA-N
MW74.10 g/mol
LogP-0.60
Rot. Bonds2

About 1-deuterio-2-(methylamino)ethanone

1-deuterio-2-(methylamino)ethanone (PubChem CID 59078551) has the molecular formula C3H7NO and a molecular weight of 74.10 g/mol. Its IUPAC name is 1-deuterio-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-deuterio-2-(methylamino)ethanone
PubChem CID59078551
Molecular FormulaC3H7NO
Molecular Weight74.10 g/mol
Exact Mass74.06
IUPAC Name1-deuterio-2-(methylamino)ethanone
SMILES[2H]C(=O)CNC
InChIInChI=1S/C3H7NO/c1-4-2-3-5/h3-4H,2H2,1H3/i3D
InChIKeyKZMQZFPRPILIHO-WFVSFCRTSA-N
XLogP-0.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.10
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Methylamino)acetaldehyde
CID 13316132
N-(2-Oxoethyl)cyanamide
CID 19809504
2,2'-Azanediyldiacetaldehyde
CID 20268664
2-(Fluoromethylamino)acetaldehyde
CID 174927045
2-(Methylamino)acetaldehyde;hydrochloride
CID 13316133
2-Chloromethylaminoacetaldehyde
CID 20392716
2-(Ethylamino)acetaldehyde
CID 20548464
2-Propylaminoacetaldehyde
CID 20548466
Ethane;2-(methylamino)acetaldehyde
CID 54499176
1-Deuterio-2-(propylamino)ethanone
CID 59380764
Dimethyl(2-oxoethyl)azanium;chloride;hydrochloride
CID 87374016
acetaldehyde;N-methylethanamine
CID 88117946

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-2-(methylamino)ethanone?
The IUPAC name of 1-deuterio-2-(methylamino)ethanone (CID 59078551) is 1-deuterio-2-(methylamino)ethanone.
What is the SMILES notation for 1-deuterio-2-(methylamino)ethanone?
The canonical SMILES for 1-deuterio-2-(methylamino)ethanone is [2H]C(=O)CNC.
What is the InChIKey of 1-deuterio-2-(methylamino)ethanone?
The InChIKey is KZMQZFPRPILIHO-WFVSFCRTSA-N. The full InChI is InChI=1S/C3H7NO/c1-4-2-3-5/h3-4H,2H2,1H3/i3D.
What are the key properties of 1-deuterio-2-(methylamino)ethanone?
1-deuterio-2-(methylamino)ethanone has a molecular weight of 74.10 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-2-(methylamino)ethanone is sourced from PubChem (CID 59078551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).