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

C10H14O — CID 86338731

IUPACcis-(2S,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-SCZZXKLOSA-N
MW150.22 g/mol
LogP2.34
Rot. Bonds2

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

cis-(2S,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one (PubChem CID 86338731) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is cis-(2S,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one
PubChem CID86338731
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Namecis-(2S,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-SCZZXKLOSA-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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Frequently Asked Questions

What is the IUPAC name of cis-(2S,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one?
The IUPAC name of cis-(2S,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one (CID 86338731) is cis-(2S,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one.
What is the SMILES notation for cis-(2S,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one?
The canonical SMILES for cis-(2S,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 cis-(2S,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one?
The InChIKey is NXPQAKVZPRXJII-SCZZXKLOSA-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 cis-(2S,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one?
cis-(2S,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 cis-(2S,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 86338731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).