CID 58783044

C7H10O3 — CID 58783044

IUPAC—
SMILES[CH]OCC(O)CC(=O)C=C
InChIInChI=1S/C7H10O3/c1-3-6(8)4-7(9)5-10-2/h2-3,7,9H,1,4-5H2
InChIKeyXLOPJTPFCVLUKU-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.18
Rot. Bonds5

About CID 58783044

CID 58783044 (PubChem CID 58783044) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol.

Molecular Properties

Compound NameCID 58783044
PubChem CID58783044
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name—
SMILES[CH]OCC(O)CC(=O)C=C
InChIInChI=1S/C7H10O3/c1-3-6(8)4-7(9)5-10-2/h2-3,7,9H,1,4-5H2
InChIKeyXLOPJTPFCVLUKU-UHFFFAOYSA-N
XLogP0.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58783044?
The IUPAC name of CID 58783044 (CID 58783044) is not available.
What is the SMILES notation for CID 58783044?
The canonical SMILES for CID 58783044 is [CH]OCC(O)CC(=O)C=C.
What is the InChIKey of CID 58783044?
The InChIKey is XLOPJTPFCVLUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-6(8)4-7(9)5-10-2/h2-3,7,9H,1,4-5H2.
What are the key properties of CID 58783044?
CID 58783044 has a molecular weight of 142.15 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58783044 is sourced from PubChem (CID 58783044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).