but-3-enoic acid;furan

C8H10O3 — CID 174949831

IUPACbut-3-enoic acid;furan
SMILESC=CCC(=O)O.c1ccoc1
InChIInChI=1S/C4H6O2.C4H4O/c1-2-3-4(5)6;1-2-4-5-3-1/h2H,1,3H2,(H,5,6);1-4H
InChIKeyYRKOOBMMIMBSEB-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.93
Rot. Bonds2

About but-3-enoic acid;furan

but-3-enoic acid;furan (PubChem CID 174949831) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is but-3-enoic acid;furan.

Molecular Properties

Compound Namebut-3-enoic acid;furan
PubChem CID174949831
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namebut-3-enoic acid;furan
SMILESC=CCC(=O)O.c1ccoc1
InChIInChI=1S/C4H6O2.C4H4O/c1-2-3-4(5)6;1-2-4-5-3-1/h2H,1,3H2,(H,5,6);1-4H
InChIKeyYRKOOBMMIMBSEB-UHFFFAOYSA-N
XLogP1.93
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

but-3-enoic acid;dichloromethane
CID 174886985
but-3-enoic acid;sulfuric acid
CID 87373537
but-3-enoic acid;trimethylsilyl but-3-enoate
CID 159552551
but-3-enoic acid;terephthalic acid
CID 158519909
buta-1,3-diene;but-3-enoic acid;styrene
CID 174962905
buta-1,3-dien-1-one;but-3-enoic acid
CID 90976636
(3Z)-4-methylhepta-3,6-dienoic acid
CID 14197243
3-oxohex-5-enoic acid
CID 22076660
2-amino-2-ethylbutanoic acid;but-3-enoic acid
CID 87783840
furan;octadecanoic acid
CID 160757356
but-3-enoic acid;ethenyl propanoate
CID 157316958
but-3-enoic acid;1,3,4-thiadiazolidine-2,5-dithione
CID 174955796

Frequently Asked Questions

What is the IUPAC name of but-3-enoic acid;furan?
The IUPAC name of but-3-enoic acid;furan (CID 174949831) is but-3-enoic acid;furan.
What is the SMILES notation for but-3-enoic acid;furan?
The canonical SMILES for but-3-enoic acid;furan is C=CCC(=O)O.c1ccoc1.
What is the InChIKey of but-3-enoic acid;furan?
The InChIKey is YRKOOBMMIMBSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C4H4O/c1-2-3-4(5)6;1-2-4-5-3-1/h2H,1,3H2,(H,5,6);1-4H.
What are the key properties of but-3-enoic acid;furan?
but-3-enoic acid;furan has a molecular weight of 154.16 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoic acid;furan is sourced from PubChem (CID 174949831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).