trans-(1R,2R)-1-chloro-2-methylcyclopropane

C4H7Cl — CID 57480697

IUPACtrans-(1R,2R)-1-chloro-2-methylcyclopropane
SMILESC[C@@H]1C[C@H]1Cl
InChIInChI=1S/C4H7Cl/c1-3-2-4(3)5/h3-4H,2H2,1H3/t3-,4-/m1/s1
InChIKeyKQYTYGONQSPCFT-QWWZWVQMSA-N
MW90.55 g/mol
LogP1.63
Rot. Bonds

About trans-(1R,2R)-1-chloro-2-methylcyclopropane

trans-(1R,2R)-1-chloro-2-methylcyclopropane (PubChem CID 57480697) has the molecular formula C4H7Cl and a molecular weight of 90.55 g/mol. Its IUPAC name is trans-(1R,2R)-1-chloro-2-methylcyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-chloro-2-methylcyclopropane
PubChem CID57480697
Molecular FormulaC4H7Cl
Molecular Weight90.55 g/mol
Exact Mass90.02
IUPAC Nametrans-(1R,2R)-1-chloro-2-methylcyclopropane
SMILESC[C@@H]1C[C@H]1Cl
InChIInChI=1S/C4H7Cl/c1-3-2-4(3)5/h3-4H,2H2,1H3/t3-,4-/m1/s1
InChIKeyKQYTYGONQSPCFT-QWWZWVQMSA-N
XLogP1.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.55
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-chloro-2-methylcyclopropane?
The IUPAC name of trans-(1R,2R)-1-chloro-2-methylcyclopropane (CID 57480697) is trans-(1R,2R)-1-chloro-2-methylcyclopropane.
What is the SMILES notation for trans-(1R,2R)-1-chloro-2-methylcyclopropane?
The canonical SMILES for trans-(1R,2R)-1-chloro-2-methylcyclopropane is C[C@@H]1C[C@H]1Cl.
What is the InChIKey of trans-(1R,2R)-1-chloro-2-methylcyclopropane?
The InChIKey is KQYTYGONQSPCFT-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H7Cl/c1-3-2-4(3)5/h3-4H,2H2,1H3/t3-,4-/m1/s1.
What are the key properties of trans-(1R,2R)-1-chloro-2-methylcyclopropane?
trans-(1R,2R)-1-chloro-2-methylcyclopropane has a molecular weight of 90.55 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-chloro-2-methylcyclopropane is sourced from PubChem (CID 57480697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).