1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one

C10H15ClN2O2 — CID 80580729

IUPAC1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one
SMILESO=c1n(CCOCCCl)ccn1C1CC1
InChIInChI=1S/C10H15ClN2O2/c11-3-7-15-8-6-12-4-5-13(10(12)14)9-1-2-9/h4-5,9H,1-3,6-8H2
InChIKeyYTSYMYMCKZKAGP-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.24
Rot. Bonds6

About 1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one

1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one (PubChem CID 80580729) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one
PubChem CID80580729
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one
SMILESO=c1n(CCOCCCl)ccn1C1CC1
InChIInChI=1S/C10H15ClN2O2/c11-3-7-15-8-6-12-4-5-13(10(12)14)9-1-2-9/h4-5,9H,1-3,6-8H2
InChIKeyYTSYMYMCKZKAGP-UHFFFAOYSA-N
XLogP1.24
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one (CID 80580729) is 1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one is O=c1n(CCOCCCl)ccn1C1CC1.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one?
The InChIKey is YTSYMYMCKZKAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c11-3-7-15-8-6-12-4-5-13(10(12)14)9-1-2-9/h4-5,9H,1-3,6-8H2.
What are the key properties of 1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one?
1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one has a molecular weight of 230.69 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethyl]-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 80580729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).