trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride

C8H11ClO — CID 93494643

IUPACtrans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride
SMILESC=C(C)[C@@]1(C)C[C@@H]1C(=O)Cl
InChIInChI=1S/C8H11ClO/c1-5(2)8(3)4-6(8)7(9)10/h6H,1,4H2,2-3H3/t6-,8-/m1/s1
InChIKeyFXGJLOMKXCXRNC-HTRCEHHLSA-N
MW158.63 g/mol
LogP2.35
Rot. Bonds2

About trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride

trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride (PubChem CID 93494643) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride
PubChem CID93494643
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Nametrans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride
SMILESC=C(C)[C@@]1(C)C[C@@H]1C(=O)Cl
InChIInChI=1S/C8H11ClO/c1-5(2)8(3)4-6(8)7(9)10/h6H,1,4H2,2-3H3/t6-,8-/m1/s1
InChIKeyFXGJLOMKXCXRNC-HTRCEHHLSA-N
XLogP2.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride
CID 131845501
(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 28875815
carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane
CID 88740342
(1R)-2,2-difluorocyclopropane-1-carbonyl chloride
CID 124563920
2-methyl-2-prop-1-enylcyclopropane-1-carbonyl chloride
CID 57357803
(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl chloride
CID 86307397
2,4-dicarbonochloridoyl-1,2-dimethylcyclobutane-1-carboxylic acid
CID 87222259
cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate
CID 11435080
(2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane
CID 10846789
trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane
CID 162732695
carbonyl dichloride;propan-2-one
CID 161102507
trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride
CID 165352423

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride?
The IUPAC name of trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride (CID 93494643) is trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride?
The canonical SMILES for trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride is C=C(C)[C@@]1(C)C[C@@H]1C(=O)Cl.
What is the InChIKey of trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride?
The InChIKey is FXGJLOMKXCXRNC-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H11ClO/c1-5(2)8(3)4-6(8)7(9)10/h6H,1,4H2,2-3H3/t6-,8-/m1/s1.
What are the key properties of trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride?
trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride has a molecular weight of 158.63 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 93494643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).