(Z)-4-amino-2-propan-2-yliminobut-3-enamide;molecular hydrogen

C7H15N3O — CID 168936153

IUPAC(Z)-4-amino-2-propan-2-yliminobut-3-enamide;molecular hydrogen
SMILESCC(C)/N=C(/C=C\N)C(N)=O.[H][H]
InChIInChI=1S/C7H13N3O.H2/c1-5(2)10-6(3-4-8)7(9)11;/h3-5H,8H2,1-2H3,(H2,9,11);1H/b4-3-,10-6-;
InChIKeyGVYQXGURCRNCLB-YDUUMFSESA-N
MW157.22 g/mol
LogP0.04
Rot. Bonds3

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

(Z)-4-amino-2-propan-2-yliminobut-3-enamide;molecular hydrogen (PubChem CID 168936153) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (Z)-4-amino-2-propan-2-yliminobut-3-enamide;molecular hydrogen.

Molecular Properties

Compound Name(Z)-4-amino-2-propan-2-yliminobut-3-enamide;molecular hydrogen
PubChem CID168936153
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(Z)-4-amino-2-propan-2-yliminobut-3-enamide;molecular hydrogen
SMILESCC(C)/N=C(/C=C\N)C(N)=O.[H][H]
InChIInChI=1S/C7H13N3O.H2/c1-5(2)10-6(3-4-8)7(9)11;/h3-5H,8H2,1-2H3,(H2,9,11);1H/b4-3-,10-6-;
InChIKeyGVYQXGURCRNCLB-YDUUMFSESA-N
XLogP0.04
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.04
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;molecular hydrogen?
The IUPAC name of (Z)-4-amino-2-propan-2-yliminobut-3-enamide;molecular hydrogen (CID 168936153) is (Z)-4-amino-2-propan-2-yliminobut-3-enamide;molecular hydrogen.
What is the SMILES notation for (Z)-4-amino-2-propan-2-yliminobut-3-enamide;molecular hydrogen?
The canonical SMILES for (Z)-4-amino-2-propan-2-yliminobut-3-enamide;molecular hydrogen is CC(C)/N=C(/C=C\N)C(N)=O.[H][H].
What is the InChIKey of (Z)-4-amino-2-propan-2-yliminobut-3-enamide;molecular hydrogen?
The InChIKey is GVYQXGURCRNCLB-YDUUMFSESA-N. The full InChI is InChI=1S/C7H13N3O.H2/c1-5(2)10-6(3-4-8)7(9)11;/h3-5H,8H2,1-2H3,(H2,9,11);1H/b4-3-,10-6-;.
What are the key properties of (Z)-4-amino-2-propan-2-yliminobut-3-enamide;molecular hydrogen?
(Z)-4-amino-2-propan-2-yliminobut-3-enamide;molecular hydrogen has a molecular weight of 157.22 g/mol, XLogP of 0.04, 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;molecular hydrogen is sourced from PubChem (CID 168936153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).