(E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride

C8H7ClO2 — CID 22736728

IUPAC(E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride
SMILESCc1occc1/C=C/C(=O)Cl
InChIInChI=1S/C8H7ClO2/c1-6-7(4-5-11-6)2-3-8(9)10/h2-5H,1H3/b3-2+
InChIKeyRFCBPOBYACKNMT-NSCUHMNNSA-N
MW170.59 g/mol
LogP2.37
Rot. Bonds2

About (E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride

(E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride (PubChem CID 22736728) has the molecular formula C8H7ClO2 and a molecular weight of 170.59 g/mol. Its IUPAC name is (E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride.

Molecular Properties

Compound Name(E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride
PubChem CID22736728
Molecular FormulaC8H7ClO2
Molecular Weight170.59 g/mol
Exact Mass170.01
IUPAC Name(E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride
SMILESCc1occc1/C=C/C(=O)Cl
InChIInChI=1S/C8H7ClO2/c1-6-7(4-5-11-6)2-3-8(9)10/h2-5H,1H3/b3-2+
InChIKeyRFCBPOBYACKNMT-NSCUHMNNSA-N
XLogP2.37
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 52.37
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 (E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride?
The IUPAC name of (E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride (CID 22736728) is (E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride.
What is the SMILES notation for (E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride?
The canonical SMILES for (E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride is Cc1occc1/C=C/C(=O)Cl.
What is the InChIKey of (E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride?
The InChIKey is RFCBPOBYACKNMT-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H7ClO2/c1-6-7(4-5-11-6)2-3-8(9)10/h2-5H,1H3/b3-2+.
What are the key properties of (E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride?
(E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride has a molecular weight of 170.59 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylfuran-3-yl)prop-2-enoyl chloride is sourced from PubChem (CID 22736728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).