4-(2-chloro-2-cyclopropylethyl)cinnoline

C13H13ClN2 — CID 63588291

IUPAC4-(2-chloro-2-cyclopropylethyl)cinnoline
SMILESClC(Cc1cnnc2ccccc12)C1CC1
InChIInChI=1S/C13H13ClN2/c14-12(9-5-6-9)7-10-8-15-16-13-4-2-1-3-11(10)13/h1-4,8-9,12H,5-7H2
InChIKeyFUYPPTMIOMHTRJ-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.19
Rot. Bonds3

About 4-(2-chloro-2-cyclopropylethyl)cinnoline

4-(2-chloro-2-cyclopropylethyl)cinnoline (PubChem CID 63588291) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-(2-chloro-2-cyclopropylethyl)cinnoline.

Molecular Properties

Compound Name4-(2-chloro-2-cyclopropylethyl)cinnoline
PubChem CID63588291
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name4-(2-chloro-2-cyclopropylethyl)cinnoline
SMILESClC(Cc1cnnc2ccccc12)C1CC1
InChIInChI=1S/C13H13ClN2/c14-12(9-5-6-9)7-10-8-15-16-13-4-2-1-3-11(10)13/h1-4,8-9,12H,5-7H2
InChIKeyFUYPPTMIOMHTRJ-UHFFFAOYSA-N
XLogP3.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(2-chloro-2-cyclopropylethyl)cinnoline?
The IUPAC name of 4-(2-chloro-2-cyclopropylethyl)cinnoline (CID 63588291) is 4-(2-chloro-2-cyclopropylethyl)cinnoline.
What is the SMILES notation for 4-(2-chloro-2-cyclopropylethyl)cinnoline?
The canonical SMILES for 4-(2-chloro-2-cyclopropylethyl)cinnoline is ClC(Cc1cnnc2ccccc12)C1CC1.
What is the InChIKey of 4-(2-chloro-2-cyclopropylethyl)cinnoline?
The InChIKey is FUYPPTMIOMHTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-12(9-5-6-9)7-10-8-15-16-13-4-2-1-3-11(10)13/h1-4,8-9,12H,5-7H2.
What are the key properties of 4-(2-chloro-2-cyclopropylethyl)cinnoline?
4-(2-chloro-2-cyclopropylethyl)cinnoline has a molecular weight of 232.71 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-2-cyclopropylethyl)cinnoline is sourced from PubChem (CID 63588291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).