2-chloro-5-cyclopropyl-1H-pyrrole

C7H8ClN — CID 175083883

IUPAC2-chloro-5-cyclopropyl-1H-pyrrole
SMILESClc1ccc(C2CC2)[nH]1
InChIInChI=1S/C7H8ClN/c8-7-4-3-6(9-7)5-1-2-5/h3-5,9H,1-2H2
InChIKeyITCFHWUNLSAJDP-UHFFFAOYSA-N
MW141.60 g/mol
LogP2.55
Rot. Bonds1

About 2-chloro-5-cyclopropyl-1H-pyrrole

2-chloro-5-cyclopropyl-1H-pyrrole (PubChem CID 175083883) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is 2-chloro-5-cyclopropyl-1H-pyrrole.

Molecular Properties

Compound Name2-chloro-5-cyclopropyl-1H-pyrrole
PubChem CID175083883
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC Name2-chloro-5-cyclopropyl-1H-pyrrole
SMILESClc1ccc(C2CC2)[nH]1
InChIInChI=1S/C7H8ClN/c8-7-4-3-6(9-7)5-1-2-5/h3-5,9H,1-2H2
InChIKeyITCFHWUNLSAJDP-UHFFFAOYSA-N
XLogP2.55
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclopropyl-1H-pyrrole?
The IUPAC name of 2-chloro-5-cyclopropyl-1H-pyrrole (CID 175083883) is 2-chloro-5-cyclopropyl-1H-pyrrole.
What is the SMILES notation for 2-chloro-5-cyclopropyl-1H-pyrrole?
The canonical SMILES for 2-chloro-5-cyclopropyl-1H-pyrrole is Clc1ccc(C2CC2)[nH]1.
What is the InChIKey of 2-chloro-5-cyclopropyl-1H-pyrrole?
The InChIKey is ITCFHWUNLSAJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN/c8-7-4-3-6(9-7)5-1-2-5/h3-5,9H,1-2H2.
What are the key properties of 2-chloro-5-cyclopropyl-1H-pyrrole?
2-chloro-5-cyclopropyl-1H-pyrrole has a molecular weight of 141.60 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclopropyl-1H-pyrrole is sourced from PubChem (CID 175083883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).