but-2-enoyl chloride;prop-2-enoyl chloride

C7H8Cl2O2 — CID 174874963

IUPACbut-2-enoyl chloride;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.CC=CC(=O)Cl
InChIInChI=1S/C4H5ClO.C3H3ClO/c1-2-3-4(5)6;1-2-3(4)5/h2-3H,1H3;2H,1H2
InChIKeyYDDLUAAHRGSVQM-UHFFFAOYSA-N
MW195.04 g/mol
LogP2.27
Rot. Bonds2

About but-2-enoyl chloride;prop-2-enoyl chloride

but-2-enoyl chloride;prop-2-enoyl chloride (PubChem CID 174874963) has the molecular formula C7H8Cl2O2 and a molecular weight of 195.04 g/mol. Its IUPAC name is but-2-enoyl chloride;prop-2-enoyl chloride.

Molecular Properties

Compound Namebut-2-enoyl chloride;prop-2-enoyl chloride
PubChem CID174874963
Molecular FormulaC7H8Cl2O2
Molecular Weight195.04 g/mol
Exact Mass193.99
IUPAC Namebut-2-enoyl chloride;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.CC=CC(=O)Cl
InChIInChI=1S/C4H5ClO.C3H3ClO/c1-2-3-4(5)6;1-2-3(4)5/h2-3H,1H3;2H,1H2
InChIKeyYDDLUAAHRGSVQM-UHFFFAOYSA-N
XLogP2.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.04
LogP ≤ 52.27
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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Related Compounds

prop-2-enoyl chloride
CID 23168843
but-2-enoyl chloride;2-methylprop-2-enamide
CID 174791232
dichloromethane;prop-2-enoyl chloride
CID 146265417
(2E,4E)-3-methylhexa-2,4-dienoyl chloride
CID 58952072
2-methylprop-2-enamide;prop-2-enoyl chloride
CID 174876854
3-methylhexa-2,4-dienoyl chloride
CID 71402233
(2Z,4E,6Z)-4,5-bis(ethenyl)octa-2,4,6-triene;ethane;propan-2-one
CID 144596817
2-oxopent-3-enoyl chloride
CID 85365025
hepta-2,5-dien-4-one
CID 54179619
2-chloropenta-1,3-diene;pent-3-en-2-one
CID 163430879
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 143166172
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 145140668

Frequently Asked Questions

What is the IUPAC name of but-2-enoyl chloride;prop-2-enoyl chloride?
The IUPAC name of but-2-enoyl chloride;prop-2-enoyl chloride (CID 174874963) is but-2-enoyl chloride;prop-2-enoyl chloride.
What is the SMILES notation for but-2-enoyl chloride;prop-2-enoyl chloride?
The canonical SMILES for but-2-enoyl chloride;prop-2-enoyl chloride is C=CC(=O)Cl.CC=CC(=O)Cl.
What is the InChIKey of but-2-enoyl chloride;prop-2-enoyl chloride?
The InChIKey is YDDLUAAHRGSVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO.C3H3ClO/c1-2-3-4(5)6;1-2-3(4)5/h2-3H,1H3;2H,1H2.
What are the key properties of but-2-enoyl chloride;prop-2-enoyl chloride?
but-2-enoyl chloride;prop-2-enoyl chloride has a molecular weight of 195.04 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enoyl chloride;prop-2-enoyl chloride is sourced from PubChem (CID 174874963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).