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

C4H7Cl — CID 130909377

IUPACcis-(1S,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-DMTCNVIQSA-N
MW90.55 g/mol
LogP1.63
Rot. Bonds

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

cis-(1S,2R)-1-chloro-2-methylcyclopropane (PubChem CID 130909377) has the molecular formula C4H7Cl and a molecular weight of 90.55 g/mol. Its IUPAC name is cis-(1S,2R)-1-chloro-2-methylcyclopropane.

Molecular Properties

Compound Namecis-(1S,2R)-1-chloro-2-methylcyclopropane
PubChem CID130909377
Molecular FormulaC4H7Cl
Molecular Weight90.55 g/mol
Exact Mass90.02
IUPAC Namecis-(1S,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-DMTCNVIQSA-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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Related Compounds

trans-(1R,2R)-1-chloro-2-methylcyclopropane
CID 57480697
1,4-dichloro-2-methylcyclohexane
CID 44557993
(1S,2S,4S)-1-chloro-2,4-dimethylcyclohexane
CID 23268688
(1S,2S,4S,5S)-1,2,4,5-tetrachlorocyclohexane
CID 91753323
(1R,2S,6S)-2-chloro-4,6-dimethylcyclohexan-1-amine
CID 173103808
4-chloro-1,2,5-trimethylpiperidine
CID 71367708
deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
2-chloro-4-ethyl-1-methylcyclohexane
CID 89207092
2-methyl-1-methylcyclopropane
CID 156629370
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-chloro-2-methylcyclopropane?
The IUPAC name of cis-(1S,2R)-1-chloro-2-methylcyclopropane (CID 130909377) is cis-(1S,2R)-1-chloro-2-methylcyclopropane.
What is the SMILES notation for cis-(1S,2R)-1-chloro-2-methylcyclopropane?
The canonical SMILES for cis-(1S,2R)-1-chloro-2-methylcyclopropane is C[C@@H]1C[C@@H]1Cl.
What is the InChIKey of cis-(1S,2R)-1-chloro-2-methylcyclopropane?
The InChIKey is KQYTYGONQSPCFT-DMTCNVIQSA-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 cis-(1S,2R)-1-chloro-2-methylcyclopropane?
cis-(1S,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 cis-(1S,2R)-1-chloro-2-methylcyclopropane is sourced from PubChem (CID 130909377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).