2-chloro-1-(1-ethylcyclopropyl)ethanone

C7H11ClO — CID 130553979

IUPAC2-chloro-1-(1-ethylcyclopropyl)ethanone
SMILESCCC1(C(=O)CCl)CC1
InChIInChI=1S/C7H11ClO/c1-2-7(3-4-7)6(9)5-8/h2-5H2,1H3
InChIKeyWCBJYQXRMBMHAD-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.98
Rot. Bonds3

About 2-chloro-1-(1-ethylcyclopropyl)ethanone

2-chloro-1-(1-ethylcyclopropyl)ethanone (PubChem CID 130553979) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is 2-chloro-1-(1-ethylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(1-ethylcyclopropyl)ethanone
PubChem CID130553979
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name2-chloro-1-(1-ethylcyclopropyl)ethanone
SMILESCCC1(C(=O)CCl)CC1
InChIInChI=1S/C7H11ClO/c1-2-7(3-4-7)6(9)5-8/h2-5H2,1H3
InChIKeyWCBJYQXRMBMHAD-UHFFFAOYSA-N
XLogP1.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1-ethylcyclopropyl)ethanone?
The IUPAC name of 2-chloro-1-(1-ethylcyclopropyl)ethanone (CID 130553979) is 2-chloro-1-(1-ethylcyclopropyl)ethanone.
What is the SMILES notation for 2-chloro-1-(1-ethylcyclopropyl)ethanone?
The canonical SMILES for 2-chloro-1-(1-ethylcyclopropyl)ethanone is CCC1(C(=O)CCl)CC1.
What is the InChIKey of 2-chloro-1-(1-ethylcyclopropyl)ethanone?
The InChIKey is WCBJYQXRMBMHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO/c1-2-7(3-4-7)6(9)5-8/h2-5H2,1H3.
What are the key properties of 2-chloro-1-(1-ethylcyclopropyl)ethanone?
2-chloro-1-(1-ethylcyclopropyl)ethanone has a molecular weight of 146.62 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1-ethylcyclopropyl)ethanone is sourced from PubChem (CID 130553979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).