N-methyliminobutanamide

C5H10N2O — CID 141214785

IUPACN-methyliminobutanamide
SMILESCCCC(=O)/N=N/C
InChIInChI=1S/C5H10N2O/c1-3-4-5(8)7-6-2/h3-4H2,1-2H3/b7-6+
InChIKeyGJWUBAVWXXCKEA-VOTSOKGWSA-N
MW114.15 g/mol
LogP1.40
Rot. Bonds2

About N-methyliminobutanamide

N-methyliminobutanamide (PubChem CID 141214785) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-methyliminobutanamide.

Molecular Properties

Compound NameN-methyliminobutanamide
PubChem CID141214785
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-methyliminobutanamide
SMILESCCCC(=O)/N=N/C
InChIInChI=1S/C5H10N2O/c1-3-4-5(8)7-6-2/h3-4H2,1-2H3/b7-6+
InChIKeyGJWUBAVWXXCKEA-VOTSOKGWSA-N
XLogP1.40
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-oxobutanamide
CID 87293137
N-phenyliminobutanamide
CID 123707151
3-methyliminohexan-2-one
CID 123425712
butanoic acid;mercury
CID 87059277
butanoic acid;zirconium
CID 87090666
palladium;pentan-2-one
CID 174766041
dialuminum;butanoic acid
CID 175897781
butanoic acid;heptahydrofluoride
CID 172757824
CID 87408506
CID 87408506
butanoic acid;copper
CID 57425269
butanoic acid;praseodymium
CID 88777452
azane;butanoic acid
CID 175057491

Frequently Asked Questions

What is the IUPAC name of N-methyliminobutanamide?
The IUPAC name of N-methyliminobutanamide (CID 141214785) is N-methyliminobutanamide.
What is the SMILES notation for N-methyliminobutanamide?
The canonical SMILES for N-methyliminobutanamide is CCCC(=O)/N=N/C.
What is the InChIKey of N-methyliminobutanamide?
The InChIKey is GJWUBAVWXXCKEA-VOTSOKGWSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-4-5(8)7-6-2/h3-4H2,1-2H3/b7-6+.
What are the key properties of N-methyliminobutanamide?
N-methyliminobutanamide has a molecular weight of 114.15 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyliminobutanamide is sourced from PubChem (CID 141214785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).