(Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide

C8H17N3O — CID 126599345

IUPAC(Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide
SMILESC/C=C(\NNC(C)CC)C(N)=O
InChIInChI=1S/C8H17N3O/c1-4-6(3)10-11-7(5-2)8(9)12/h5-6,10-11H,4H2,1-3H3,(H2,9,12)/b7-5-
InChIKeyBBBRHAUEYOCDIL-ALCCZGGFSA-N
MW171.24 g/mol
LogP0.27
Rot. Bonds5

About (Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide

(Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide (PubChem CID 126599345) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide
PubChem CID126599345
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide
SMILESC/C=C(\NNC(C)CC)C(N)=O
InChIInChI=1S/C8H17N3O/c1-4-6(3)10-11-7(5-2)8(9)12/h5-6,10-11H,4H2,1-3H3,(H2,9,12)/b7-5-
InChIKeyBBBRHAUEYOCDIL-ALCCZGGFSA-N
XLogP0.27
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide?
The IUPAC name of (Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide (CID 126599345) is (Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide.
What is the SMILES notation for (Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide?
The canonical SMILES for (Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide is C/C=C(\NNC(C)CC)C(N)=O.
What is the InChIKey of (Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide?
The InChIKey is BBBRHAUEYOCDIL-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H17N3O/c1-4-6(3)10-11-7(5-2)8(9)12/h5-6,10-11H,4H2,1-3H3,(H2,9,12)/b7-5-.
What are the key properties of (Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide?
(Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide is sourced from PubChem (CID 126599345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).