(Z)-N'-(2-methylpropyl)but-2-enediamide

C8H14N2O2 — CID 46940414

IUPAC(Z)-N'-(2-methylpropyl)but-2-enediamide
SMILESCC(C)CNC(=O)/C=C\C(N)=O
InChIInChI=1S/C8H14N2O2/c1-6(2)5-10-8(12)4-3-7(9)11/h3-4,6H,5H2,1-2H3,(H2,9,11)(H,10,12)/b4-3-
InChIKeyLCPYIRCXJZUFBE-ARJAWSKDSA-N
MW170.21 g/mol
LogP-0.20
Rot. Bonds4

About (Z)-N'-(2-methylpropyl)but-2-enediamide

(Z)-N'-(2-methylpropyl)but-2-enediamide (PubChem CID 46940414) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (Z)-N'-(2-methylpropyl)but-2-enediamide.

Molecular Properties

Compound Name(Z)-N'-(2-methylpropyl)but-2-enediamide
PubChem CID46940414
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(Z)-N'-(2-methylpropyl)but-2-enediamide
SMILESCC(C)CNC(=O)/C=C\C(N)=O
InChIInChI=1S/C8H14N2O2/c1-6(2)5-10-8(12)4-3-7(9)11/h3-4,6H,5H2,1-2H3,(H2,9,11)(H,10,12)/b4-3-
InChIKeyLCPYIRCXJZUFBE-ARJAWSKDSA-N
XLogP-0.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(2-methylpropyl)but-2-enediamide?
The IUPAC name of (Z)-N'-(2-methylpropyl)but-2-enediamide (CID 46940414) is (Z)-N'-(2-methylpropyl)but-2-enediamide.
What is the SMILES notation for (Z)-N'-(2-methylpropyl)but-2-enediamide?
The canonical SMILES for (Z)-N'-(2-methylpropyl)but-2-enediamide is CC(C)CNC(=O)/C=C\C(N)=O.
What is the InChIKey of (Z)-N'-(2-methylpropyl)but-2-enediamide?
The InChIKey is LCPYIRCXJZUFBE-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(2)5-10-8(12)4-3-7(9)11/h3-4,6H,5H2,1-2H3,(H2,9,11)(H,10,12)/b4-3-.
What are the key properties of (Z)-N'-(2-methylpropyl)but-2-enediamide?
(Z)-N'-(2-methylpropyl)but-2-enediamide has a molecular weight of 170.21 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(2-methylpropyl)but-2-enediamide is sourced from PubChem (CID 46940414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).