2-methyliminopropanamide

C4H8N2O — CID 55289375

IUPAC2-methyliminopropanamide
SMILESC/N=C(\C)C(N)=O
InChIInChI=1S/C4H8N2O/c1-3(6-2)4(5)7/h1-2H3,(H2,5,7)/b6-3+
InChIKeyZIVWDHMVFHPJIQ-ZZXKWVIFSA-N
MW100.12 g/mol
LogP-0.44
Rot. Bonds1

About 2-methyliminopropanamide

2-methyliminopropanamide (PubChem CID 55289375) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-methyliminopropanamide.

Molecular Properties

Compound Name2-methyliminopropanamide
PubChem CID55289375
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name2-methyliminopropanamide
SMILESC/N=C(\C)C(N)=O
InChIInChI=1S/C4H8N2O/c1-3(6-2)4(5)7/h1-2H3,(H2,5,7)/b6-3+
InChIKeyZIVWDHMVFHPJIQ-ZZXKWVIFSA-N
XLogP-0.44
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-methyliminopropanamide
CID 23553121
2-(Propan-2-ylideneamino)propanamide
CID 55290813
2-(2-Aminoethylimino)propanamide
CID 57269019
2-(Ethyliminomethylimino)propanamide
CID 90245736
N-propan-2-ylidenepropanamide
CID 90435470
2,3-Bis(methylimino)butanamide
CID 91070483
2-(2-Methyliminoethylimino)propanamide
CID 123340543
3-Methyliminobutanamide
CID 123410050
2-Methyliminobutanamide
CID 123659925
2-imino-N,N-dimethylpropanamide
CID 123775194
2-Formyliminopropanamide
CID 141006199
(2R)-2-(propan-2-ylideneamino)propanamide
CID 144775164

Frequently Asked Questions

What is the IUPAC name of 2-methyliminopropanamide?
The IUPAC name of 2-methyliminopropanamide (CID 55289375) is 2-methyliminopropanamide.
What is the SMILES notation for 2-methyliminopropanamide?
The canonical SMILES for 2-methyliminopropanamide is C/N=C(\C)C(N)=O.
What is the InChIKey of 2-methyliminopropanamide?
The InChIKey is ZIVWDHMVFHPJIQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3(6-2)4(5)7/h1-2H3,(H2,5,7)/b6-3+.
What are the key properties of 2-methyliminopropanamide?
2-methyliminopropanamide has a molecular weight of 100.12 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyliminopropanamide is sourced from PubChem (CID 55289375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).