but-1-ene;2-methylprop-2-enoic acid

C8H14O2 — CID 10057591

IUPACbut-1-ene;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CCC
InChIInChI=1S/C4H6O2.C4H8/c1-3(2)4(5)6;1-3-4-2/h1H2,2H3,(H,5,6);3H,1,4H2,2H3
InChIKeyMQINVZZGCCLXKG-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.23
Rot. Bonds2

About but-1-ene;2-methylprop-2-enoic acid

but-1-ene;2-methylprop-2-enoic acid (PubChem CID 10057591) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is but-1-ene;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namebut-1-ene;2-methylprop-2-enoic acid
PubChem CID10057591
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namebut-1-ene;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CCC
InChIInChI=1S/C4H6O2.C4H8/c1-3(2)4(5)6;1-3-4-2/h1H2,2H3,(H,5,6);3H,1,4H2,2H3
InChIKeyMQINVZZGCCLXKG-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-ene;2-methylprop-2-enoic acid?
The IUPAC name of but-1-ene;2-methylprop-2-enoic acid (CID 10057591) is but-1-ene;2-methylprop-2-enoic acid.
What is the SMILES notation for but-1-ene;2-methylprop-2-enoic acid?
The canonical SMILES for but-1-ene;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=CCC.
What is the InChIKey of but-1-ene;2-methylprop-2-enoic acid?
The InChIKey is MQINVZZGCCLXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C4H8/c1-3(2)4(5)6;1-3-4-2/h1H2,2H3,(H,5,6);3H,1,4H2,2H3.
What are the key properties of but-1-ene;2-methylprop-2-enoic acid?
but-1-ene;2-methylprop-2-enoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;2-methylprop-2-enoic acid is sourced from PubChem (CID 10057591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).