4-(1-arsanylcyclobutyl)but-2-enoic acid

C8H13AsO2 — CID 173329893

IUPAC4-(1-arsanylcyclobutyl)but-2-enoic acid
SMILESO=C(O)C=CCC1([AsH2])CCC1
InChIInChI=1S/C8H13AsO2/c9-8(5-2-6-8)4-1-3-7(10)11/h1,3H,2,4-6,9H2,(H,10,11)
InChIKeyKVKUWFRFHQOVJO-UHFFFAOYSA-N
MW216.11 g/mol
LogP0.99
Rot. Bonds3

About 4-(1-arsanylcyclobutyl)but-2-enoic acid

4-(1-arsanylcyclobutyl)but-2-enoic acid (PubChem CID 173329893) has the molecular formula C8H13AsO2 and a molecular weight of 216.11 g/mol. Its IUPAC name is 4-(1-arsanylcyclobutyl)but-2-enoic acid.

Molecular Properties

Compound Name4-(1-arsanylcyclobutyl)but-2-enoic acid
PubChem CID173329893
Molecular FormulaC8H13AsO2
Molecular Weight216.11 g/mol
Exact Mass216.01
IUPAC Name4-(1-arsanylcyclobutyl)but-2-enoic acid
SMILESO=C(O)C=CCC1([AsH2])CCC1
InChIInChI=1S/C8H13AsO2/c9-8(5-2-6-8)4-1-3-7(10)11/h1,3H,2,4-6,9H2,(H,10,11)
InChIKeyKVKUWFRFHQOVJO-UHFFFAOYSA-N
XLogP0.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1-formylcyclohexyl)but-2-enoic acid
CID 123160535
hepta-2,5-dienedioic acid
CID 74058962
(E)-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]but-2-enoic acid
CID 10729698
cyclohexane;(E)-pent-2-enedioic acid
CID 174977639
4-(4,4-dihydroxypiperidin-1-yl)but-2-enoic acid
CID 57011311
(Z)-3-[1-(2-oxoethyl)cyclohexyl]prop-2-enoic acid
CID 10442666
(E)-4-(1-ethylcyclopent-3-en-1-yl)but-2-enoic acid
CID 178083188
(E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid
CID 103249222
(E)-4-[[1-(dimethylamino)cyclobutyl]methylamino]but-2-enoic acid
CID 103268943
(E)-4-[1-(phenylmethoxycarbonylamino)cyclobutyl]but-2-enoic acid
CID 167736065
(E)-pent-2-enoic acid
CID 638122
pent-2-enedioic acid
CID 87399612

Frequently Asked Questions

What is the IUPAC name of 4-(1-arsanylcyclobutyl)but-2-enoic acid?
The IUPAC name of 4-(1-arsanylcyclobutyl)but-2-enoic acid (CID 173329893) is 4-(1-arsanylcyclobutyl)but-2-enoic acid.
What is the SMILES notation for 4-(1-arsanylcyclobutyl)but-2-enoic acid?
The canonical SMILES for 4-(1-arsanylcyclobutyl)but-2-enoic acid is O=C(O)C=CCC1([AsH2])CCC1.
What is the InChIKey of 4-(1-arsanylcyclobutyl)but-2-enoic acid?
The InChIKey is KVKUWFRFHQOVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13AsO2/c9-8(5-2-6-8)4-1-3-7(10)11/h1,3H,2,4-6,9H2,(H,10,11).
What are the key properties of 4-(1-arsanylcyclobutyl)but-2-enoic acid?
4-(1-arsanylcyclobutyl)but-2-enoic acid has a molecular weight of 216.11 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-arsanylcyclobutyl)but-2-enoic acid is sourced from PubChem (CID 173329893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).