(Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide

C8H14N2O — CID 171832958

IUPAC(Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide
SMILES[H]/N=C/C(C)=C(\C(N)=O)C(C)C
InChIInChI=1S/C8H14N2O/c1-5(2)7(8(10)11)6(3)4-9/h4-5,9H,1-3H3,(H2,10,11)/b7-6-,9-4+
InChIKeyQBZKRISEQFVOLZ-WSISTYIOSA-N
MW154.21 g/mol
LogP1.09
Rot. Bonds3

About (Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide

(Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide (PubChem CID 171832958) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Name(Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide
PubChem CID171832958
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide
SMILES[H]/N=C/C(C)=C(\C(N)=O)C(C)C
InChIInChI=1S/C8H14N2O/c1-5(2)7(8(10)11)6(3)4-9/h4-5,9H,1-3H3,(H2,10,11)/b7-6-,9-4+
InChIKeyQBZKRISEQFVOLZ-WSISTYIOSA-N
XLogP1.09
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide?
The IUPAC name of (Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide (CID 171832958) is (Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide.
What is the SMILES notation for (Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide?
The canonical SMILES for (Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide is [H]/N=C/C(C)=C(\C(N)=O)C(C)C.
What is the InChIKey of (Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide?
The InChIKey is QBZKRISEQFVOLZ-WSISTYIOSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)7(8(10)11)6(3)4-9/h4-5,9H,1-3H3,(H2,10,11)/b7-6-,9-4+.
What are the key properties of (Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide?
(Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide is sourced from PubChem (CID 171832958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).