2-[(Z)-but-1-enyl]propanedioic acid

C7H10O4 — CID 139985300

IUPAC2-[(Z)-but-1-enyl]propanedioic acid
SMILESCC/C=C\C(C(=O)O)C(=O)O
InChIInChI=1S/C7H10O4/c1-2-3-4-5(6(8)9)7(10)11/h3-5H,2H2,1H3,(H,8,9)(H,10,11)/b4-3-
InChIKeyYHTHFLDEUGBGKY-ARJAWSKDSA-N
MW158.15 g/mol
LogP0.74
Rot. Bonds4

About 2-[(Z)-but-1-enyl]propanedioic acid

2-[(Z)-but-1-enyl]propanedioic acid (PubChem CID 139985300) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]propanedioic acid.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]propanedioic acid
PubChem CID139985300
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-[(Z)-but-1-enyl]propanedioic acid
SMILESCC/C=C\C(C(=O)O)C(=O)O
InChIInChI=1S/C7H10O4/c1-2-3-4-5(6(8)9)7(10)11/h3-5H,2H2,1H3,(H,8,9)(H,10,11)/b4-3-
InChIKeyYHTHFLDEUGBGKY-ARJAWSKDSA-N
XLogP0.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-non-1-enyl]propanedioic acid
CID 156873732
2-[(Z)-pentadec-1-enyl]propanedioic acid
CID 156873718
2-[(Z)-oct-1-enyl]propanedioic acid
CID 156873601
2-[(E)-dodec-1-enyl]propanedioic acid
CID 22107420
2-[(E)-but-1-enyl]-3-methylbutanedioic acid
CID 21482433
(E)-2-propylhex-3-enoic acid
CID 156873563
2-[(Z)-but-1-enyl]oct-5-enoic acid
CID 174237174
(E)-2-butylhex-3-enoic acid
CID 20517887
acetic acid;(Z)-hex-3-ene
CID 87142970
(E)-3,4-dimethyloct-5-enoic acid
CID 155168739
2-[(E)-prop-1-enyl]propanedioic acid;hydrate
CID 172795597
2-[(E)-but-1-enyl]hexanedioic acid
CID 18980848

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]propanedioic acid?
The IUPAC name of 2-[(Z)-but-1-enyl]propanedioic acid (CID 139985300) is 2-[(Z)-but-1-enyl]propanedioic acid.
What is the SMILES notation for 2-[(Z)-but-1-enyl]propanedioic acid?
The canonical SMILES for 2-[(Z)-but-1-enyl]propanedioic acid is CC/C=C\C(C(=O)O)C(=O)O.
What is the InChIKey of 2-[(Z)-but-1-enyl]propanedioic acid?
The InChIKey is YHTHFLDEUGBGKY-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H10O4/c1-2-3-4-5(6(8)9)7(10)11/h3-5H,2H2,1H3,(H,8,9)(H,10,11)/b4-3-.
What are the key properties of 2-[(Z)-but-1-enyl]propanedioic acid?
2-[(Z)-but-1-enyl]propanedioic acid has a molecular weight of 158.15 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]propanedioic acid is sourced from PubChem (CID 139985300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).