(2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride

C12H15ClO — CID 134856802

IUPAC(2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
SMILESC=C(CC)[C@H]1C2C=CC(C2)[C@H]1C(=O)Cl
InChIInChI=1S/C12H15ClO/c1-3-7(2)10-8-4-5-9(6-8)11(10)12(13)14/h4-5,8-11H,2-3,6H2,1H3/t8?,9?,10-,11+/m0/s1
InChIKeyWMOJRQOJOFMKPH-WFBLGPOFSA-N
MW210.70 g/mol
LogP3.16
Rot. Bonds3

About (2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride

(2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride (PubChem CID 134856802) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is (2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride.

Molecular Properties

Compound Name(2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
PubChem CID134856802
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name(2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
SMILESC=C(CC)[C@H]1C2C=CC(C2)[C@H]1C(=O)Cl
InChIInChI=1S/C12H15ClO/c1-3-7(2)10-8-4-5-9(6-8)11(10)12(13)14/h4-5,8-11H,2-3,6H2,1H3/t8?,9?,10-,11+/m0/s1
InChIKeyWMOJRQOJOFMKPH-WFBLGPOFSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.16
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

(2-endo,3-exo)-Bicyclo(2.2.1)hept-5-ene-2,3-dicarbonyl dichloride
CID 98325
Bicyclo(2.2.1)hept-5-ene-2-carbonyl chloride
CID 98233
trans-Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyl dichloride
CID 13163688
rel-(1R,2R,3R,4S)-Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyl dichloride
CID 56846544
(1S,2S,3S,4R)-3-(1,1,2,2,3,3,3-heptafluoropropyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
CID 134979376
(1S,2R,3R,4R)-3-(1,1,2,2,3,3,3-heptafluoropropyl)bicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
CID 134979946
Bicyclo[2.2.1]hept-5-ene-2-carbonylchloride, (1S,2R,4S)-
CID 11878786
(1R,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
CID 25314892
Bicyclo[2.2.1]hept-2-ene-2-carbonyl chloride
CID 45081298
1-(2-Chloro-2-bicyclo[2.2.1]hept-5-enyl)ethanone
CID 89108297
3,3-Dimethylbicyclo(2.2.1)hept-5-ene-2-carbonyl chloride
CID 19102317
trans-5-Norbornene-2,3-dicarbonyl chloride
CID 21675307

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride?
The IUPAC name of (2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride (CID 134856802) is (2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride.
What is the SMILES notation for (2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride?
The canonical SMILES for (2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride is C=C(CC)[C@H]1C2C=CC(C2)[C@H]1C(=O)Cl.
What is the InChIKey of (2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride?
The InChIKey is WMOJRQOJOFMKPH-WFBLGPOFSA-N. The full InChI is InChI=1S/C12H15ClO/c1-3-7(2)10-8-4-5-9(6-8)11(10)12(13)14/h4-5,8-11H,2-3,6H2,1H3/t8?,9?,10-,11+/m0/s1.
What are the key properties of (2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride?
(2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride has a molecular weight of 210.70 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-but-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride is sourced from PubChem (CID 134856802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).