2-(dimethylamino)but-2-enoyl chloride

C6H10ClNO — CID 91035516

IUPAC2-(dimethylamino)but-2-enoyl chloride
SMILESCC=C(C(=O)Cl)N(C)C
InChIInChI=1S/C6H10ClNO/c1-4-5(6(7)9)8(2)3/h4H,1-3H3
InChIKeyXWMCNBUDGRUWOO-UHFFFAOYSA-N
MW147.60 g/mol
LogP1.22
Rot. Bonds2

About 2-(dimethylamino)but-2-enoyl chloride

2-(dimethylamino)but-2-enoyl chloride (PubChem CID 91035516) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 2-(dimethylamino)but-2-enoyl chloride.

Molecular Properties

Compound Name2-(dimethylamino)but-2-enoyl chloride
PubChem CID91035516
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name2-(dimethylamino)but-2-enoyl chloride
SMILESCC=C(C(=O)Cl)N(C)C
InChIInChI=1S/C6H10ClNO/c1-4-5(6(7)9)8(2)3/h4H,1-3H3
InChIKeyXWMCNBUDGRUWOO-UHFFFAOYSA-N
XLogP1.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_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 2-(dimethylamino)but-2-enoyl chloride?
The IUPAC name of 2-(dimethylamino)but-2-enoyl chloride (CID 91035516) is 2-(dimethylamino)but-2-enoyl chloride.
What is the SMILES notation for 2-(dimethylamino)but-2-enoyl chloride?
The canonical SMILES for 2-(dimethylamino)but-2-enoyl chloride is CC=C(C(=O)Cl)N(C)C.
What is the InChIKey of 2-(dimethylamino)but-2-enoyl chloride?
The InChIKey is XWMCNBUDGRUWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-4-5(6(7)9)8(2)3/h4H,1-3H3.
What are the key properties of 2-(dimethylamino)but-2-enoyl chloride?
2-(dimethylamino)but-2-enoyl chloride has a molecular weight of 147.60 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)but-2-enoyl chloride is sourced from PubChem (CID 91035516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).