(2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one

C12H20O2 — CID 165483859

IUPAC(2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one
SMILESCCO/C=C(\CC)C(=O)C1CCCC1
InChIInChI=1S/C12H20O2/c1-3-10(9-14-4-2)12(13)11-7-5-6-8-11/h9,11H,3-8H2,1-2H3/b10-9+
InChIKeySRJAMNNIUJNQQW-MDZDMXLPSA-N
MW196.29 g/mol
LogP3.08
Rot. Bonds5

About (2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one

(2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one (PubChem CID 165483859) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one.

Molecular Properties

Compound Name(2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one
PubChem CID165483859
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one
SMILESCCO/C=C(\CC)C(=O)C1CCCC1
InChIInChI=1S/C12H20O2/c1-3-10(9-14-4-2)12(13)11-7-5-6-8-11/h9,11H,3-8H2,1-2H3/b10-9+
InChIKeySRJAMNNIUJNQQW-MDZDMXLPSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-cyclohexyl-2-ethylbut-2-en-1-one
CID 24977366
(2E)-1-(2,2-dimethylcyclopropyl)-2-(ethoxymethylidene)butan-1-one
CID 165474318
(E)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoic acid
CID 70362979
ethyl (2E)-2-(ethoxymethylidene)butanoate
CID 88955284
(Z)-1-cyclohexyl-2-diethoxyphosphorylbut-2-en-1-one
CID 100967866
2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one
CID 103447479
(3E)-3-(ethoxymethylidene)-1,1,1-trifluoropentan-2-one
CID 11665576
1-cyclopropyl-2-(ethoxymethylidene)-3-(2,3,4-trichlorophenyl)propane-1,3-dione
CID 54090777
ethyl (E)-2-(cyclohexanecarbonyl)-3-hydroxyprop-2-enoate
CID 22887569
ethyl 2-cyclopropyl-2-oxoacetate
CID 18370816
ethyl 3-(cyclohexanecarbonyl)-4-oxopent-2-enoate
CID 69244672
(2Z)-1-cyclopropyl-3-(2,3-dichloro-4-methylsulfonylphenyl)-2-(ethoxymethylidene)propane-1,3-dione
CID 22875071

Frequently Asked Questions

What is the IUPAC name of (2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one?
The IUPAC name of (2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one (CID 165483859) is (2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one.
What is the SMILES notation for (2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one?
The canonical SMILES for (2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one is CCO/C=C(\CC)C(=O)C1CCCC1.
What is the InChIKey of (2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one?
The InChIKey is SRJAMNNIUJNQQW-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-10(9-14-4-2)12(13)11-7-5-6-8-11/h9,11H,3-8H2,1-2H3/b10-9+.
What are the key properties of (2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one?
(2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one has a molecular weight of 196.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one is sourced from PubChem (CID 165483859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).