1-ethylcyclopent-3-ene-1-carbonyl chloride

C8H11ClO — CID 178083189

IUPAC1-ethylcyclopent-3-ene-1-carbonyl chloride
SMILESCCC1(C(=O)Cl)CC=CC1
InChIInChI=1S/C8H11ClO/c1-2-8(7(9)10)5-3-4-6-8/h3-4H,2,5-6H2,1H3
InChIKeyIUKFKVBGQGAXLD-UHFFFAOYSA-N
MW158.63 g/mol
LogP2.50
Rot. Bonds2

About 1-ethylcyclopent-3-ene-1-carbonyl chloride

1-ethylcyclopent-3-ene-1-carbonyl chloride (PubChem CID 178083189) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is 1-ethylcyclopent-3-ene-1-carbonyl chloride.

Molecular Properties

Compound Name1-ethylcyclopent-3-ene-1-carbonyl chloride
PubChem CID178083189
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name1-ethylcyclopent-3-ene-1-carbonyl chloride
SMILESCCC1(C(=O)Cl)CC=CC1
InChIInChI=1S/C8H11ClO/c1-2-8(7(9)10)5-3-4-6-8/h3-4H,2,5-6H2,1H3
InChIKeyIUKFKVBGQGAXLD-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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

1-ethylcyclohex-3-ene-1-carboxamide
CID 66765185
1-butylcyclopropane-1-carbonyl chloride
CID 54546667
ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate
CID 129386310
2-chloro-1-(1-ethylcyclopropyl)ethanone
CID 130553979
4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene
CID 12536948
1-ethyl-4-methyl-3-methylsulfanylcyclohex-3-ene-1-carbonyl chloride
CID 123212584
1-(2-methylpropyl)cyclopropane-1-carbonyl chloride
CID 139221866
1-but-2-ynylcyclopent-3-ene-1-carboxylic acid
CID 164645826
(1S,2S)-1-ethyl-2-propylcyclohex-4-ene-1,2-dicarboxylic acid
CID 146562606
benzene;propanoyl chloride;dihydrate
CID 174835832
1-ethylcyclobut-2-ene-1-carboxamide
CID 131980488
(1S,2S)-1,2-dipropylcyclohex-4-ene-1,2-dicarboxylic acid
CID 146562587

Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclopent-3-ene-1-carbonyl chloride?
The IUPAC name of 1-ethylcyclopent-3-ene-1-carbonyl chloride (CID 178083189) is 1-ethylcyclopent-3-ene-1-carbonyl chloride.
What is the SMILES notation for 1-ethylcyclopent-3-ene-1-carbonyl chloride?
The canonical SMILES for 1-ethylcyclopent-3-ene-1-carbonyl chloride is CCC1(C(=O)Cl)CC=CC1.
What is the InChIKey of 1-ethylcyclopent-3-ene-1-carbonyl chloride?
The InChIKey is IUKFKVBGQGAXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO/c1-2-8(7(9)10)5-3-4-6-8/h3-4H,2,5-6H2,1H3.
What are the key properties of 1-ethylcyclopent-3-ene-1-carbonyl chloride?
1-ethylcyclopent-3-ene-1-carbonyl chloride has a molecular weight of 158.63 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclopent-3-ene-1-carbonyl chloride is sourced from PubChem (CID 178083189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).