3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide

C7H13N3O — CID 153364429

IUPAC3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide
SMILESCC(/C=C\N)=N\CCC(N)=O
InChIInChI=1S/C7H13N3O/c1-6(2-4-8)10-5-3-7(9)11/h2,4H,3,5,8H2,1H3,(H2,9,11)/b4-2-,10-6+
InChIKeyIGNOUYBYRKYDEV-BZLOCEPESA-N
MW155.20 g/mol
LogP-0.20
Rot. Bonds4

About 3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide

3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide (PubChem CID 153364429) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide.

Molecular Properties

Compound Name3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide
PubChem CID153364429
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide
SMILESCC(/C=C\N)=N\CCC(N)=O
InChIInChI=1S/C7H13N3O/c1-6(2-4-8)10-5-3-7(9)11/h2,4H,3,5,8H2,1H3,(H2,9,11)/b4-2-,10-6+
InChIKeyIGNOUYBYRKYDEV-BZLOCEPESA-N
XLogP-0.20
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide?
The IUPAC name of 3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide (CID 153364429) is 3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide.
What is the SMILES notation for 3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide?
The canonical SMILES for 3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide is CC(/C=C\N)=N\CCC(N)=O.
What is the InChIKey of 3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide?
The InChIKey is IGNOUYBYRKYDEV-BZLOCEPESA-N. The full InChI is InChI=1S/C7H13N3O/c1-6(2-4-8)10-5-3-7(9)11/h2,4H,3,5,8H2,1H3,(H2,9,11)/b4-2-,10-6+.
What are the key properties of 3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide?
3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide has a molecular weight of 155.20 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide is sourced from PubChem (CID 153364429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).