(Z)-2-prop-2-enoxybut-2-enoic acid

C7H10O3 — CID 25228924

IUPAC(Z)-2-prop-2-enoxybut-2-enoic acid
SMILESC=CCO/C(=C\C)C(=O)O
InChIInChI=1S/C7H10O3/c1-3-5-10-6(4-2)7(8)9/h3-4H,1,5H2,2H3,(H,8,9)/b6-4-
InChIKeyQVVMHASAJVACHO-XQRVVYSFSA-N
MW142.15 g/mol
LogP1.18
Rot. Bonds4

About (Z)-2-prop-2-enoxybut-2-enoic acid

(Z)-2-prop-2-enoxybut-2-enoic acid (PubChem CID 25228924) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (Z)-2-prop-2-enoxybut-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-prop-2-enoxybut-2-enoic acid
PubChem CID25228924
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(Z)-2-prop-2-enoxybut-2-enoic acid
SMILESC=CCO/C(=C\C)C(=O)O
InChIInChI=1S/C7H10O3/c1-3-5-10-6(4-2)7(8)9/h3-4H,1,5H2,2H3,(H,8,9)/b6-4-
InChIKeyQVVMHASAJVACHO-XQRVVYSFSA-N
XLogP1.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enoxybut-2-enoic acid
CID 74409051
propan-2-yl (E)-2-prop-2-enoxybut-2-enoate
CID 25228919
(Z)-2-ethenoxybut-2-enoic acid
CID 142329685
2-methylbut-2-enoic acid;prop-2-enyl 2-methylprop-2-enoate
CID 173460089
carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene
CID 87667724
carbamic acid;prop-2-enyl carbamate
CID 87466810
bis(prop-2-enyl) carbonate;ethene
CID 87465968
prop-2-enyl 2-aminopropanoate
CID 91515395
benzene;prop-2-enyl carbamate
CID 174893735
(E)-3-hydroxy-2-prop-2-enoxyhex-2-enoic acid
CID 87763279
ethyl methyl carbonate;prop-2-enyl hydrogen carbonate
CID 174592666
prop-2-enyl 2,2-dimethylbutanoate
CID 18714422

Frequently Asked Questions

What is the IUPAC name of (Z)-2-prop-2-enoxybut-2-enoic acid?
The IUPAC name of (Z)-2-prop-2-enoxybut-2-enoic acid (CID 25228924) is (Z)-2-prop-2-enoxybut-2-enoic acid.
What is the SMILES notation for (Z)-2-prop-2-enoxybut-2-enoic acid?
The canonical SMILES for (Z)-2-prop-2-enoxybut-2-enoic acid is C=CCO/C(=C\C)C(=O)O.
What is the InChIKey of (Z)-2-prop-2-enoxybut-2-enoic acid?
The InChIKey is QVVMHASAJVACHO-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-5-10-6(4-2)7(8)9/h3-4H,1,5H2,2H3,(H,8,9)/b6-4-.
What are the key properties of (Z)-2-prop-2-enoxybut-2-enoic acid?
(Z)-2-prop-2-enoxybut-2-enoic acid has a molecular weight of 142.15 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-prop-2-enoxybut-2-enoic acid is sourced from PubChem (CID 25228924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).