N-(butan-2-ylideneamino)propanamide

C7H14N2O — CID 54149775

IUPACN-(butan-2-ylideneamino)propanamide
SMILESCCC(=O)NN=C(C)CC
InChIInChI=1S/C7H14N2O/c1-4-6(3)8-9-7(10)5-2/h4-5H2,1-3H3,(H,9,10)
InChIKeyOGXYAEVGMVGFIY-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.30
Rot. Bonds3

About N-(butan-2-ylideneamino)propanamide

N-(butan-2-ylideneamino)propanamide (PubChem CID 54149775) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(butan-2-ylideneamino)propanamide.

Molecular Properties

Compound NameN-(butan-2-ylideneamino)propanamide
PubChem CID54149775
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(butan-2-ylideneamino)propanamide
SMILESCCC(=O)NN=C(C)CC
InChIInChI=1S/C7H14N2O/c1-4-6(3)8-9-7(10)5-2/h4-5H2,1-3H3,(H,9,10)
InChIKeyOGXYAEVGMVGFIY-UHFFFAOYSA-N
XLogP1.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylideneamino)propanamide?
The IUPAC name of N-(butan-2-ylideneamino)propanamide (CID 54149775) is N-(butan-2-ylideneamino)propanamide.
What is the SMILES notation for N-(butan-2-ylideneamino)propanamide?
The canonical SMILES for N-(butan-2-ylideneamino)propanamide is CCC(=O)NN=C(C)CC.
What is the InChIKey of N-(butan-2-ylideneamino)propanamide?
The InChIKey is OGXYAEVGMVGFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-6(3)8-9-7(10)5-2/h4-5H2,1-3H3,(H,9,10).
What are the key properties of N-(butan-2-ylideneamino)propanamide?
N-(butan-2-ylideneamino)propanamide has a molecular weight of 142.20 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylideneamino)propanamide is sourced from PubChem (CID 54149775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).