methyl 3-(5-ethylfuran-2-yl)prop-2-enoate

C10H12O3 — CID 54231207

IUPACmethyl 3-(5-ethylfuran-2-yl)prop-2-enoate
SMILESCCc1ccc(C=CC(=O)OC)o1
InChIInChI=1S/C10H12O3/c1-3-8-4-5-9(13-8)6-7-10(11)12-2/h4-7H,3H2,1-2H3
InChIKeyQJJQELXIMHKVTQ-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.03
Rot. Bonds3

About methyl 3-(5-ethylfuran-2-yl)prop-2-enoate

methyl 3-(5-ethylfuran-2-yl)prop-2-enoate (PubChem CID 54231207) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is methyl 3-(5-ethylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5-ethylfuran-2-yl)prop-2-enoate
PubChem CID54231207
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namemethyl 3-(5-ethylfuran-2-yl)prop-2-enoate
SMILESCCc1ccc(C=CC(=O)OC)o1
InChIInChI=1S/C10H12O3/c1-3-8-4-5-9(13-8)6-7-10(11)12-2/h4-7H,3H2,1-2H3
InChIKeyQJJQELXIMHKVTQ-UHFFFAOYSA-N
XLogP2.03
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.03
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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Related Compounds

methyl 3-(5-bromofuran-2-yl)prop-2-enoate
CID 66591461
[2-[[(E)-3-(5-ethylfuran-2-yl)prop-2-enoyl]amino]-3-hydroxy-2-methylpropyl] (E)-3-(5-ethylfuran-2-yl)prop-2-enoate
CID 91653641
methyl 3-[5-(propan-2-ylcarbamoyl)furan-2-yl]prop-2-enoate
CID 175475304
(E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide
CID 7710923
(E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide
CID 91649052
methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate
CID 175475252
tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate
CID 169468895
methyl (E)-3-[5-[(Z)-1-hydroxyhept-4-en-2-ynyl]furan-2-yl]prop-2-enoate
CID 165341412
methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
CID 69037771
methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate
CID 71445900
methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate
CID 75608706
methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate
CID 70628274

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-ethylfuran-2-yl)prop-2-enoate?
The IUPAC name of methyl 3-(5-ethylfuran-2-yl)prop-2-enoate (CID 54231207) is methyl 3-(5-ethylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(5-ethylfuran-2-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(5-ethylfuran-2-yl)prop-2-enoate is CCc1ccc(C=CC(=O)OC)o1.
What is the InChIKey of methyl 3-(5-ethylfuran-2-yl)prop-2-enoate?
The InChIKey is QJJQELXIMHKVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-8-4-5-9(13-8)6-7-10(11)12-2/h4-7H,3H2,1-2H3.
What are the key properties of methyl 3-(5-ethylfuran-2-yl)prop-2-enoate?
methyl 3-(5-ethylfuran-2-yl)prop-2-enoate has a molecular weight of 180.20 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-ethylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 54231207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).