ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide

C12H25N3O — CID 171523739

IUPACethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide
SMILESC=C/C(CNC(C)=O)=N\N(C)C(C)C.CC
InChIInChI=1S/C10H19N3O.C2H6/c1-6-10(7-11-9(4)14)12-13(5)8(2)3;1-2/h6,8H,1,7H2,2-5H3,(H,11,14);1-2H3/b12-10+;
InChIKeyUVTQVBLEHPWCSG-VHPXAQPISA-N
MW227.35 g/mol
LogP2.03
Rot. Bonds5

About ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide

ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide (PubChem CID 171523739) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide
PubChem CID171523739
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Nameethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide
SMILESC=C/C(CNC(C)=O)=N\N(C)C(C)C.CC
InChIInChI=1S/C10H19N3O.C2H6/c1-6-10(7-11-9(4)14)12-13(5)8(2)3;1-2/h6,8H,1,7H2,2-5H3,(H,11,14);1-2H3/b12-10+;
InChIKeyUVTQVBLEHPWCSG-VHPXAQPISA-N
XLogP2.03
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide?
The IUPAC name of ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide (CID 171523739) is ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide.
What is the SMILES notation for ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide?
The canonical SMILES for ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide is C=C/C(CNC(C)=O)=N\N(C)C(C)C.CC.
What is the InChIKey of ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide?
The InChIKey is UVTQVBLEHPWCSG-VHPXAQPISA-N. The full InChI is InChI=1S/C10H19N3O.C2H6/c1-6-10(7-11-9(4)14)12-13(5)8(2)3;1-2/h6,8H,1,7H2,2-5H3,(H,11,14);1-2H3/b12-10+;.
What are the key properties of ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide?
ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide has a molecular weight of 227.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide is sourced from PubChem (CID 171523739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).