1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone

C11H14O — CID 142935097

IUPAC1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone
SMILESCC(=O)[C@@H]1CC1C1C=CC=CC1
InChIInChI=1S/C11H14O/c1-8(12)10-7-11(10)9-5-3-2-4-6-9/h2-5,9-11H,6-7H2,1H3/t9?,10-,11?/m0/s1
InChIKeyIYMLSSZEYDEQAK-YVNMAJEFSA-N
MW162.23 g/mol
LogP2.34
Rot. Bonds2

About 1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone

1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone (PubChem CID 142935097) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone
PubChem CID142935097
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone
SMILESCC(=O)[C@@H]1CC1C1C=CC=CC1
InChIInChI=1S/C11H14O/c1-8(12)10-7-11(10)9-5-3-2-4-6-9/h2-5,9-11H,6-7H2,1H3/t9?,10-,11?/m0/s1
InChIKeyIYMLSSZEYDEQAK-YVNMAJEFSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]cyclopropane-1-carbonyl chloride
CID 88927777
(2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide
CID 89159128
N-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide
CID 89174448
1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone
CID 45086233
acetic acid;cyclohexa-2,4-dien-1-ol
CID 139242866
1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 11869221
bis(1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone);butan-2-one;cyclopenta-1,3-diene
CID 161289991
ethyl (1R)-cyclohexa-2,4-diene-1-carboxylate
CID 142951121
1-(2-cyclopentylcyclopropyl)ethanone
CID 62313246
(3S)-3-cyclohexa-2,4-dien-1-ylbutan-2-one
CID 143361819
bicyclo[5.1.0]octa-2,4-diene-8-carbonyl chloride
CID 45081414
1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone
CID 130029378

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone?
The IUPAC name of 1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone (CID 142935097) is 1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone?
The canonical SMILES for 1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone is CC(=O)[C@@H]1CC1C1C=CC=CC1.
What is the InChIKey of 1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone?
The InChIKey is IYMLSSZEYDEQAK-YVNMAJEFSA-N. The full InChI is InChI=1S/C11H14O/c1-8(12)10-7-11(10)9-5-3-2-4-6-9/h2-5,9-11H,6-7H2,1H3/t9?,10-,11?/m0/s1.
What are the key properties of 1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone?
1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone has a molecular weight of 162.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone is sourced from PubChem (CID 142935097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).