(Z)-4-amino-2-propan-2-yliminobut-3-enamide

C7H13N3O — CID 168936154

IUPAC(Z)-4-amino-2-propan-2-yliminobut-3-enamide
SMILESCC(C)/N=C(/C=C\N)C(N)=O
InChIInChI=1S/C7H13N3O/c1-5(2)10-6(3-4-8)7(9)11/h3-5H,8H2,1-2H3,(H2,9,11)/b4-3-,10-6-
InChIKeyCHLAYAZRPFBBJX-YVCTXXAJSA-N
MW155.20 g/mol
LogP-0.21
Rot. Bonds3

About (Z)-4-amino-2-propan-2-yliminobut-3-enamide

(Z)-4-amino-2-propan-2-yliminobut-3-enamide (PubChem CID 168936154) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (Z)-4-amino-2-propan-2-yliminobut-3-enamide.

Molecular Properties

Compound Name(Z)-4-amino-2-propan-2-yliminobut-3-enamide
PubChem CID168936154
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(Z)-4-amino-2-propan-2-yliminobut-3-enamide
SMILESCC(C)/N=C(/C=C\N)C(N)=O
InChIInChI=1S/C7H13N3O/c1-5(2)10-6(3-4-8)7(9)11/h3-5H,8H2,1-2H3,(H2,9,11)/b4-3-,10-6-
InChIKeyCHLAYAZRPFBBJX-YVCTXXAJSA-N
XLogP-0.21
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.21
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 (Z)-4-amino-2-propan-2-yliminobut-3-enamide?
The IUPAC name of (Z)-4-amino-2-propan-2-yliminobut-3-enamide (CID 168936154) is (Z)-4-amino-2-propan-2-yliminobut-3-enamide.
What is the SMILES notation for (Z)-4-amino-2-propan-2-yliminobut-3-enamide?
The canonical SMILES for (Z)-4-amino-2-propan-2-yliminobut-3-enamide is CC(C)/N=C(/C=C\N)C(N)=O.
What is the InChIKey of (Z)-4-amino-2-propan-2-yliminobut-3-enamide?
The InChIKey is CHLAYAZRPFBBJX-YVCTXXAJSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(2)10-6(3-4-8)7(9)11/h3-5H,8H2,1-2H3,(H2,9,11)/b4-3-,10-6-.
What are the key properties of (Z)-4-amino-2-propan-2-yliminobut-3-enamide?
(Z)-4-amino-2-propan-2-yliminobut-3-enamide has a molecular weight of 155.20 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-2-propan-2-yliminobut-3-enamide is sourced from PubChem (CID 168936154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).