chloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide

C9H15Cl3N2O2 — CID 88774362

IUPACchloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide
SMILESC/C(=C/C(N)=O)NC(=O)C(C)C.ClC(Cl)Cl
InChIInChI=1S/C8H14N2O2.CHCl3/c1-5(2)8(12)10-6(3)4-7(9)11;2-1(3)4/h4-5H,1-3H3,(H2,9,11)(H,10,12);1H/b6-4-;
InChIKeyTZHFPBFDDGWFLW-YHSAGPEESA-N
MW289.59 g/mol
LogP2.13
Rot. Bonds3

About chloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide

chloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide (PubChem CID 88774362) has the molecular formula C9H15Cl3N2O2 and a molecular weight of 289.59 g/mol. Its IUPAC name is chloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide.

Molecular Properties

Compound Namechloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide
PubChem CID88774362
Molecular FormulaC9H15Cl3N2O2
Molecular Weight289.59 g/mol
Exact Mass288.02
IUPAC Namechloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide
SMILESC/C(=C/C(N)=O)NC(=O)C(C)C.ClC(Cl)Cl
InChIInChI=1S/C8H14N2O2.CHCl3/c1-5(2)8(12)10-6(3)4-7(9)11;2-1(3)4/h4-5H,1-3H3,(H2,9,11)(H,10,12);1H/b6-4-;
InChIKeyTZHFPBFDDGWFLW-YHSAGPEESA-N
XLogP2.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide?
The IUPAC name of chloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide (CID 88774362) is chloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide.
What is the SMILES notation for chloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide?
The canonical SMILES for chloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide is C/C(=C/C(N)=O)NC(=O)C(C)C.ClC(Cl)Cl.
What is the InChIKey of chloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide?
The InChIKey is TZHFPBFDDGWFLW-YHSAGPEESA-N. The full InChI is InChI=1S/C8H14N2O2.CHCl3/c1-5(2)8(12)10-6(3)4-7(9)11;2-1(3)4/h4-5H,1-3H3,(H2,9,11)(H,10,12);1H/b6-4-;.
What are the key properties of chloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide?
chloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide has a molecular weight of 289.59 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;(Z)-3-(2-methylpropanoylamino)but-2-enamide is sourced from PubChem (CID 88774362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).