cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane

C6H10 — CID 16698025

IUPACcis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane
SMILES[2H]/C=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/i1D/b3-1+
InChIKeyJVVPJIPOOZHNTM-CIPBKBJBSA-N
MW83.15 g/mol
LogP1.83
Rot. Bonds1

About cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane

cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane (PubChem CID 16698025) has the molecular formula C6H10 and a molecular weight of 83.15 g/mol. Its IUPAC name is cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane.

Molecular Properties

Compound Namecis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane
PubChem CID16698025
Molecular FormulaC6H10
Molecular Weight83.15 g/mol
Exact Mass83.08
IUPAC Namecis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane
SMILES[2H]/C=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/i1D/b3-1+
InChIKeyJVVPJIPOOZHNTM-CIPBKBJBSA-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 ≤ 50083.15
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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Related Compounds

1,2,4-tris(ethenyl)-5-methylcyclohexane
CID 91133944
1-methyl-2-propa-1,2-dienylcyclopropane
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2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene
CID 142195089
cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane
CID 101148448
ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol
CID 142195088
[(2S)-2-methylcyclopropyl]methanimine
CID 147736127
2,3-dimethylcyclobutane-1-carbaldehyde
CID 54074602
(3R,4R)-3-ethenyl-4-methylpiperidine
CID 142007594
2-ethenyl-6-methylcyclohexan-1-ol
CID 58534380
2-ethenyl-5-methylcyclohexan-1-ol
CID 58534305
1,3-bis(ethenyl)-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162270602
2-[(1R,2S,3S)-2-ethenyl-3-methylcyclopentyl]prop-2-enoic acid
CID 102585587

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane?
The IUPAC name of cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane (CID 16698025) is cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane.
What is the SMILES notation for cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane?
The canonical SMILES for cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane is [2H]/C=C/[C@H]1C[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane?
The InChIKey is JVVPJIPOOZHNTM-CIPBKBJBSA-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/i1D/b3-1+.
What are the key properties of cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane?
cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane has a molecular weight of 83.15 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 cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane is sourced from PubChem (CID 16698025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).