(E)-2-chloro-3-cyclopropylprop-2-enoic acid

C6H7ClO2 — CID 129220428

IUPAC(E)-2-chloro-3-cyclopropylprop-2-enoic acid
SMILESO=C(O)/C(Cl)=C\C1CC1
InChIInChI=1S/C6H7ClO2/c7-5(6(8)9)3-4-1-2-4/h3-4H,1-2H2,(H,8,9)/b5-3+
InChIKeyPBXFTZNUEUISCZ-HWKANZROSA-N
MW146.57 g/mol
LogP1.60
Rot. Bonds2

About (E)-2-chloro-3-cyclopropylprop-2-enoic acid

(E)-2-chloro-3-cyclopropylprop-2-enoic acid (PubChem CID 129220428) has the molecular formula C6H7ClO2 and a molecular weight of 146.57 g/mol. Its IUPAC name is (E)-2-chloro-3-cyclopropylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-chloro-3-cyclopropylprop-2-enoic acid
PubChem CID129220428
Molecular FormulaC6H7ClO2
Molecular Weight146.57 g/mol
Exact Mass146.01
IUPAC Name(E)-2-chloro-3-cyclopropylprop-2-enoic acid
SMILESO=C(O)/C(Cl)=C\C1CC1
InChIInChI=1S/C6H7ClO2/c7-5(6(8)9)3-4-1-2-4/h3-4H,1-2H2,(H,8,9)/b5-3+
InChIKeyPBXFTZNUEUISCZ-HWKANZROSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.57
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-3-cyclopropylprop-2-enoic acid?
The IUPAC name of (E)-2-chloro-3-cyclopropylprop-2-enoic acid (CID 129220428) is (E)-2-chloro-3-cyclopropylprop-2-enoic acid.
What is the SMILES notation for (E)-2-chloro-3-cyclopropylprop-2-enoic acid?
The canonical SMILES for (E)-2-chloro-3-cyclopropylprop-2-enoic acid is O=C(O)/C(Cl)=C\C1CC1.
What is the InChIKey of (E)-2-chloro-3-cyclopropylprop-2-enoic acid?
The InChIKey is PBXFTZNUEUISCZ-HWKANZROSA-N. The full InChI is InChI=1S/C6H7ClO2/c7-5(6(8)9)3-4-1-2-4/h3-4H,1-2H2,(H,8,9)/b5-3+.
What are the key properties of (E)-2-chloro-3-cyclopropylprop-2-enoic acid?
(E)-2-chloro-3-cyclopropylprop-2-enoic acid has a molecular weight of 146.57 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-3-cyclopropylprop-2-enoic acid is sourced from PubChem (CID 129220428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).