ethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate

C10H14O3 — CID 162730320

IUPACethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate
SMILESCCOC(=O)/C=C\C(=O)CC1CC1
InChIInChI=1S/C10H14O3/c1-2-13-10(12)6-5-9(11)7-8-3-4-8/h5-6,8H,2-4,7H2,1H3/b6-5-
InChIKeyYKGNYWJQQQKLMD-WAYWQWQTSA-N
MW182.22 g/mol
LogP1.47
Rot. Bonds5

About ethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate

ethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate (PubChem CID 162730320) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate
PubChem CID162730320
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate
SMILESCCOC(=O)/C=C\C(=O)CC1CC1
InChIInChI=1S/C10H14O3/c1-2-13-10(12)6-5-9(11)7-8-3-4-8/h5-6,8H,2-4,7H2,1H3/b6-5-
InChIKeyYKGNYWJQQQKLMD-WAYWQWQTSA-N
XLogP1.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
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 ethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate?
The IUPAC name of ethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate (CID 162730320) is ethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate.
What is the SMILES notation for ethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate?
The canonical SMILES for ethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate is CCOC(=O)/C=C\C(=O)CC1CC1.
What is the InChIKey of ethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate?
The InChIKey is YKGNYWJQQQKLMD-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-13-10(12)6-5-9(11)7-8-3-4-8/h5-6,8H,2-4,7H2,1H3/b6-5-.
What are the key properties of ethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate?
ethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate has a molecular weight of 182.22 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-5-cyclopropyl-4-oxopent-2-enoate is sourced from PubChem (CID 162730320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).