trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride

C9H13ClO — CID 131853161

IUPACtrans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride
SMILESC=C[C@@H]1CCC[C@@]1(C)C(=O)Cl
InChIInChI=1S/C9H13ClO/c1-3-7-5-4-6-9(7,2)8(10)11/h3,7H,1,4-6H2,2H3/t7-,9-/m1/s1
InChIKeyOZIAVPIRLFAYIK-VXNVDRBHSA-N
MW172.66 g/mol
LogP2.74
Rot. Bonds2

About trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride

trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride (PubChem CID 131853161) has the molecular formula C9H13ClO and a molecular weight of 172.66 g/mol. Its IUPAC name is trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride
PubChem CID131853161
Molecular FormulaC9H13ClO
Molecular Weight172.66 g/mol
Exact Mass172.07
IUPAC Nametrans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride
SMILESC=C[C@@H]1CCC[C@@]1(C)C(=O)Cl
InChIInChI=1S/C9H13ClO/c1-3-7-5-4-6-9(7,2)8(10)11/h3,7H,1,4-6H2,2H3/t7-,9-/m1/s1
InChIKeyOZIAVPIRLFAYIK-VXNVDRBHSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 52.74
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

dimethyl 2-ethenylcyclopentane-1,1-dicarboxylate
CID 10703747
1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride
CID 156649181
cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol
CID 102462779
cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride
CID 131845501
(1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane
CID 102275589
(2-ethenyl-1-methylcyclobutyl)silane
CID 173136645
(1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 132988527
but-3-enoyl chloride;methylcyclohexane
CID 174438806
1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 82763385
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
2-amino-1-methyl-N-prop-2-enylcyclohexane-1-carboxamide
CID 130645619

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride?
The IUPAC name of trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride (CID 131853161) is trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride.
What is the SMILES notation for trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride?
The canonical SMILES for trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride is C=C[C@@H]1CCC[C@@]1(C)C(=O)Cl.
What is the InChIKey of trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride?
The InChIKey is OZIAVPIRLFAYIK-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H13ClO/c1-3-7-5-4-6-9(7,2)8(10)11/h3,7H,1,4-6H2,2H3/t7-,9-/m1/s1.
What are the key properties of trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride?
trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride has a molecular weight of 172.66 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride is sourced from PubChem (CID 131853161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).