propyl (E)-3-(furan-2-yl)prop-2-enoate

C10H12O3 — CID 6537093

IUPACpropyl (E)-3-(furan-2-yl)prop-2-enoate
SMILESCCCOC(=O)/C=C/c1ccco1
InChIInChI=1S/C10H12O3/c1-2-7-13-10(11)6-5-9-4-3-8-12-9/h3-6,8H,2,7H2,1H3/b6-5+
InChIKeyRRFBKGHLBNBFGL-AATRIKPKSA-N
MW180.20 g/mol
LogP2.25
Rot. Bonds4

About propyl (E)-3-(furan-2-yl)prop-2-enoate

propyl (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 6537093) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is propyl (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Namepropyl (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID6537093
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namepropyl (E)-3-(furan-2-yl)prop-2-enoate
SMILESCCCOC(=O)/C=C/c1ccco1
InChIInChI=1S/C10H12O3/c1-2-7-13-10(11)6-5-9-4-3-8-12-9/h3-6,8H,2,7H2,1H3/b6-5+
InChIKeyRRFBKGHLBNBFGL-AATRIKPKSA-N
XLogP2.25
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 propyl (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of propyl (E)-3-(furan-2-yl)prop-2-enoate (CID 6537093) is propyl (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for propyl (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for propyl (E)-3-(furan-2-yl)prop-2-enoate is CCCOC(=O)/C=C/c1ccco1.
What is the InChIKey of propyl (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is RRFBKGHLBNBFGL-AATRIKPKSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-7-13-10(11)6-5-9-4-3-8-12-9/h3-6,8H,2,7H2,1H3/b6-5+.
What are the key properties of propyl (E)-3-(furan-2-yl)prop-2-enoate?
propyl (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 180.20 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 6537093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).