trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one

C10H14O — CID 86338732

IUPACtrans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one
SMILESC=C[C@@H]1CCC(=O)[C@]1(C)C=C
InChIInChI=1S/C10H14O/c1-4-8-6-7-9(11)10(8,3)5-2/h4-5,8H,1-2,6-7H2,3H3/t8-,10-/m1/s1
InChIKeyNXPQAKVZPRXJII-PSASIEDQSA-N
MW150.22 g/mol
LogP2.34
Rot. Bonds2

About trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one

trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one (PubChem CID 86338732) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one
PubChem CID86338732
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Nametrans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one
SMILESC=C[C@@H]1CCC(=O)[C@]1(C)C=C
InChIInChI=1S/C10H14O/c1-4-8-6-7-9(11)10(8,3)5-2/h4-5,8H,1-2,6-7H2,3H3/t8-,10-/m1/s1
InChIKeyNXPQAKVZPRXJII-PSASIEDQSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(2S,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one
CID 86338731
4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one
CID 141082850
1-ethenyl-8-propan-2-ylspiro[4.4]nonan-4-one
CID 78119246
trans-(3R,5R)-3,5-bis(ethenyl)-4,4-dimethylcyclohexan-1-one
CID 11513853
2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one
CID 130028580
2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
CID 85299271
8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one
CID 12882522
cis-(2S,3S)-2-methyl-3-propan-2-yl-2-prop-2-enylcyclopentan-1-one
CID 11171336
methyl 2-ethenyl-5-oxo-1-(3-oxobutyl)cyclopentane-1-carboxylate
CID 24977081
3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde
CID 130035342
cis-(2R,3R)-2-but-3-enyl-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 11424115
(1S,3aR,4R,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-5-one
CID 58379387

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one?
The IUPAC name of trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one (CID 86338732) is trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one.
What is the SMILES notation for trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one?
The canonical SMILES for trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one is C=C[C@@H]1CCC(=O)[C@]1(C)C=C.
What is the InChIKey of trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one?
The InChIKey is NXPQAKVZPRXJII-PSASIEDQSA-N. The full InChI is InChI=1S/C10H14O/c1-4-8-6-7-9(11)10(8,3)5-2/h4-5,8H,1-2,6-7H2,3H3/t8-,10-/m1/s1.
What are the key properties of trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one?
trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one has a molecular weight of 150.22 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 trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 86338732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).