trans-(1S,2S)-1-ethenyl-2-methylcyclopropane

C6H10 — CID 6427641

IUPACtrans-(1S,2S)-1-ethenyl-2-methylcyclopropane
SMILESC=C[C@@H]1C[C@@H]1C
InChIInChI=1S/C6H10/c1-3-6-4-5(6)2/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1
InChIKeyJVVPJIPOOZHNTM-NTSWFWBYSA-N
MW82.15 g/mol
LogP1.83
Rot. Bonds1

About trans-(1S,2S)-1-ethenyl-2-methylcyclopropane

trans-(1S,2S)-1-ethenyl-2-methylcyclopropane (PubChem CID 6427641) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is trans-(1S,2S)-1-ethenyl-2-methylcyclopropane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-ethenyl-2-methylcyclopropane
PubChem CID6427641
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Nametrans-(1S,2S)-1-ethenyl-2-methylcyclopropane
SMILESC=C[C@@H]1C[C@@H]1C
InChIInChI=1S/C6H10/c1-3-6-4-5(6)2/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1
InChIKeyJVVPJIPOOZHNTM-NTSWFWBYSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.15
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 trans-(1S,2S)-1-ethenyl-2-methylcyclopropane?
The IUPAC name of trans-(1S,2S)-1-ethenyl-2-methylcyclopropane (CID 6427641) is trans-(1S,2S)-1-ethenyl-2-methylcyclopropane.
What is the SMILES notation for trans-(1S,2S)-1-ethenyl-2-methylcyclopropane?
The canonical SMILES for trans-(1S,2S)-1-ethenyl-2-methylcyclopropane is C=C[C@@H]1C[C@@H]1C.
What is the InChIKey of trans-(1S,2S)-1-ethenyl-2-methylcyclopropane?
The InChIKey is JVVPJIPOOZHNTM-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H10/c1-3-6-4-5(6)2/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1.
What are the key properties of trans-(1S,2S)-1-ethenyl-2-methylcyclopropane?
trans-(1S,2S)-1-ethenyl-2-methylcyclopropane has a molecular weight of 82.15 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-ethenyl-2-methylcyclopropane is sourced from PubChem (CID 6427641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).