deuteriomethylcyclopropane

C4H8 — CID 91041589

IUPACdeuteriomethylcyclopropane
SMILES[2H]CC1CC1
InChIInChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3/i1D
InChIKeyVNXBKJFUJUWOCW-MICDWDOJSA-N
MW57.11 g/mol
LogP1.42
Rot. Bonds1

About deuteriomethylcyclopropane

deuteriomethylcyclopropane (PubChem CID 91041589) has the molecular formula C4H8 and a molecular weight of 57.11 g/mol. Its IUPAC name is deuteriomethylcyclopropane.

Molecular Properties

Compound Namedeuteriomethylcyclopropane
PubChem CID91041589
Molecular FormulaC4H8
Molecular Weight57.11 g/mol
Exact Mass57.07
IUPAC Namedeuteriomethylcyclopropane
SMILES[2H]CC1CC1
InChIInChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3/i1D
InChIKeyVNXBKJFUJUWOCW-MICDWDOJSA-N
XLogP1.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50057.11
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of deuteriomethylcyclopropane?
The IUPAC name of deuteriomethylcyclopropane (CID 91041589) is deuteriomethylcyclopropane.
What is the SMILES notation for deuteriomethylcyclopropane?
The canonical SMILES for deuteriomethylcyclopropane is [2H]CC1CC1.
What is the InChIKey of deuteriomethylcyclopropane?
The InChIKey is VNXBKJFUJUWOCW-MICDWDOJSA-N. The full InChI is InChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3/i1D.
What are the key properties of deuteriomethylcyclopropane?
deuteriomethylcyclopropane has a molecular weight of 57.11 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethylcyclopropane is sourced from PubChem (CID 91041589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).