2-[(E)-2-methoxyethenyl]cyclopropan-1-one

C6H8O2 — CID 170554718

IUPAC2-[(E)-2-methoxyethenyl]cyclopropan-1-one
SMILESCO/C=C/C1CC1=O
InChIInChI=1S/C6H8O2/c1-8-3-2-5-4-6(5)7/h2-3,5H,4H2,1H3/b3-2+
InChIKeyNAMBIOGFBGQVIK-NSCUHMNNSA-N
MW112.13 g/mol
LogP0.74
Rot. Bonds2

About 2-[(E)-2-methoxyethenyl]cyclopropan-1-one

2-[(E)-2-methoxyethenyl]cyclopropan-1-one (PubChem CID 170554718) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-[(E)-2-methoxyethenyl]cyclopropan-1-one.

Molecular Properties

Compound Name2-[(E)-2-methoxyethenyl]cyclopropan-1-one
PubChem CID170554718
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2-[(E)-2-methoxyethenyl]cyclopropan-1-one
SMILESCO/C=C/C1CC1=O
InChIInChI=1S/C6H8O2/c1-8-3-2-5-4-6(5)7/h2-3,5H,4H2,1H3/b3-2+
InChIKeyNAMBIOGFBGQVIK-NSCUHMNNSA-N
XLogP0.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5-[(E)-2-methoxyethenyl]cyclopent-2-en-1-one
CID 14068214
2-[(Z)-2-(dimethylamino)ethenyl]cyclopropan-1-one
CID 168868091
2-(2-aminoethenyl)cyclopropan-1-one
CID 174831867
(1R,5R,8R)-8-[(E)-2-methoxyethenyl]-2-oxabicyclo[3.2.1]octan-3-one
CID 134898119
2-[(E)-hex-1-enyl]cyclopropan-1-one
CID 131236727
(2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one
CID 23655067
5-[(E)-2-methoxyethenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 14978498
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
(1S,4R)-6-[(E)-2-methoxyethenyl]-1,3,3-trimethylbicyclo[2.2.2]octan-2-one
CID 10561003
2-methylcyclohexan-1-one;methyl formate
CID 174899830
(1R,4S)-1-[(Z)-2-methoxyethenyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 95565461
6-[(E)-2-methoxyethenyl]cyclohex-2-en-1-ol
CID 130127413

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methoxyethenyl]cyclopropan-1-one?
The IUPAC name of 2-[(E)-2-methoxyethenyl]cyclopropan-1-one (CID 170554718) is 2-[(E)-2-methoxyethenyl]cyclopropan-1-one.
What is the SMILES notation for 2-[(E)-2-methoxyethenyl]cyclopropan-1-one?
The canonical SMILES for 2-[(E)-2-methoxyethenyl]cyclopropan-1-one is CO/C=C/C1CC1=O.
What is the InChIKey of 2-[(E)-2-methoxyethenyl]cyclopropan-1-one?
The InChIKey is NAMBIOGFBGQVIK-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H8O2/c1-8-3-2-5-4-6(5)7/h2-3,5H,4H2,1H3/b3-2+.
What are the key properties of 2-[(E)-2-methoxyethenyl]cyclopropan-1-one?
2-[(E)-2-methoxyethenyl]cyclopropan-1-one has a molecular weight of 112.13 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methoxyethenyl]cyclopropan-1-one is sourced from PubChem (CID 170554718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).