4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine

C13H14ClN3 — CID 126637926

IUPAC4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine
SMILESC=CC1CCC(n2ccc3c(Cl)ncnc32)C1
InChIInChI=1S/C13H14ClN3/c1-2-9-3-4-10(7-9)17-6-5-11-12(14)15-8-16-13(11)17/h2,5-6,8-10H,1,3-4,7H2
InChIKeyDORLCSTXFJEHGW-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.61
Rot. Bonds2

About 4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine

4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 126637926) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine
PubChem CID126637926
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine
SMILESC=CC1CCC(n2ccc3c(Cl)ncnc32)C1
InChIInChI=1S/C13H14ClN3/c1-2-9-3-4-10(7-9)17-6-5-11-12(14)15-8-16-13(11)17/h2,5-6,8-10H,1,3-4,7H2
InChIKeyDORLCSTXFJEHGW-UHFFFAOYSA-N
XLogP3.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine (CID 126637926) is 4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine is C=CC1CCC(n2ccc3c(Cl)ncnc32)C1.
What is the InChIKey of 4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is DORLCSTXFJEHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-2-9-3-4-10(7-9)17-6-5-11-12(14)15-8-16-13(11)17/h2,5-6,8-10H,1,3-4,7H2.
What are the key properties of 4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine?
4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 247.73 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(3-ethenylcyclopentyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 126637926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).