trans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane

C10H15I — CID 134966206

IUPACtrans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane
SMILESC=C[C@H]1/C(=C(/C)I)CC[C@H]1C
InChIInChI=1S/C10H15I/c1-4-9-7(2)5-6-10(9)8(3)11/h4,7,9H,1,5-6H2,2-3H3/b10-8-/t7-,9-/m1/s1
InChIKeyMYVQRRCCVORULV-UOXRHANTSA-N
MW262.13 g/mol
LogP3.93
Rot. Bonds1

About trans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane

trans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane (PubChem CID 134966206) has the molecular formula C10H15I and a molecular weight of 262.13 g/mol. Its IUPAC name is trans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane.

Molecular Properties

Compound Nametrans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane
PubChem CID134966206
Molecular FormulaC10H15I
Molecular Weight262.13 g/mol
Exact Mass262.02
IUPAC Nametrans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane
SMILESC=C[C@H]1/C(=C(/C)I)CC[C@H]1C
InChIInChI=1S/C10H15I/c1-4-9-7(2)5-6-10(9)8(3)11/h4,7,9H,1,5-6H2,2-3H3/b10-8-/t7-,9-/m1/s1
InChIKeyMYVQRRCCVORULV-UOXRHANTSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane?
The IUPAC name of trans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane (CID 134966206) is trans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane.
What is the SMILES notation for trans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane?
The canonical SMILES for trans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane is C=C[C@H]1/C(=C(/C)I)CC[C@H]1C.
What is the InChIKey of trans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane?
The InChIKey is MYVQRRCCVORULV-UOXRHANTSA-N. The full InChI is InChI=1S/C10H15I/c1-4-9-7(2)5-6-10(9)8(3)11/h4,7,9H,1,5-6H2,2-3H3/b10-8-/t7-,9-/m1/s1.
What are the key properties of trans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane?
trans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane has a molecular weight of 262.13 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane is sourced from PubChem (CID 134966206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).