3-(furan-2-yl)prop-2-enoyl chloride

C7H5ClO2 — CID 53411285

IUPAC3-(furan-2-yl)prop-2-enoyl chloride
SMILESO=C(Cl)C=Cc1ccco1
InChIInChI=1S/C7H5ClO2/c8-7(9)4-3-6-2-1-5-10-6/h1-5H
InChIKeyIMRILMSKMWAKCC-UHFFFAOYSA-N
MW156.57 g/mol
LogP2.06
Rot. Bonds2

About 3-(furan-2-yl)prop-2-enoyl chloride

3-(furan-2-yl)prop-2-enoyl chloride (PubChem CID 53411285) has the molecular formula C7H5ClO2 and a molecular weight of 156.57 g/mol. Its IUPAC name is 3-(furan-2-yl)prop-2-enoyl chloride.

Molecular Properties

Compound Name3-(furan-2-yl)prop-2-enoyl chloride
PubChem CID53411285
Molecular FormulaC7H5ClO2
Molecular Weight156.57 g/mol
Exact Mass156.00
IUPAC Name3-(furan-2-yl)prop-2-enoyl chloride
SMILESO=C(Cl)C=Cc1ccco1
InChIInChI=1S/C7H5ClO2/c8-7(9)4-3-6-2-1-5-10-6/h1-5H
InChIKeyIMRILMSKMWAKCC-UHFFFAOYSA-N
XLogP2.06
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.57
LogP ≤ 52.06
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

CID 59090942
CID 59090942
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
(E)-1-amino-4-(furan-2-yl)but-3-en-2-one
CID 82502541
N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 77114393
(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
CID 92904073
(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid
CID 774945
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
2-(3,3,3-trichloroprop-1-enyl)furan
CID 56614654
3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one
CID 76952514
3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)prop-2-enoyl chloride?
The IUPAC name of 3-(furan-2-yl)prop-2-enoyl chloride (CID 53411285) is 3-(furan-2-yl)prop-2-enoyl chloride.
What is the SMILES notation for 3-(furan-2-yl)prop-2-enoyl chloride?
The canonical SMILES for 3-(furan-2-yl)prop-2-enoyl chloride is O=C(Cl)C=Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)prop-2-enoyl chloride?
The InChIKey is IMRILMSKMWAKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2/c8-7(9)4-3-6-2-1-5-10-6/h1-5H.
What are the key properties of 3-(furan-2-yl)prop-2-enoyl chloride?
3-(furan-2-yl)prop-2-enoyl chloride has a molecular weight of 156.57 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)prop-2-enoyl chloride is sourced from PubChem (CID 53411285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).