2-chloro-5-propan-2-yl-1H-pyrrole

C7H10ClN — CID 59172202

IUPAC2-chloro-5-propan-2-yl-1H-pyrrole
SMILESCC(C)c1ccc(Cl)[nH]1
InChIInChI=1S/C7H10ClN/c1-5(2)6-3-4-7(8)9-6/h3-5,9H,1-2H3
InChIKeyMSYYNALKOWIKJU-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.79
Rot. Bonds1

About 2-chloro-5-propan-2-yl-1H-pyrrole

2-chloro-5-propan-2-yl-1H-pyrrole (PubChem CID 59172202) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 2-chloro-5-propan-2-yl-1H-pyrrole.

Molecular Properties

Compound Name2-chloro-5-propan-2-yl-1H-pyrrole
PubChem CID59172202
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name2-chloro-5-propan-2-yl-1H-pyrrole
SMILESCC(C)c1ccc(Cl)[nH]1
InChIInChI=1S/C7H10ClN/c1-5(2)6-3-4-7(8)9-6/h3-5,9H,1-2H3
InChIKeyMSYYNALKOWIKJU-UHFFFAOYSA-N
XLogP2.79
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-yl-1H-pyrrole?
The IUPAC name of 2-chloro-5-propan-2-yl-1H-pyrrole (CID 59172202) is 2-chloro-5-propan-2-yl-1H-pyrrole.
What is the SMILES notation for 2-chloro-5-propan-2-yl-1H-pyrrole?
The canonical SMILES for 2-chloro-5-propan-2-yl-1H-pyrrole is CC(C)c1ccc(Cl)[nH]1.
What is the InChIKey of 2-chloro-5-propan-2-yl-1H-pyrrole?
The InChIKey is MSYYNALKOWIKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-5(2)6-3-4-7(8)9-6/h3-5,9H,1-2H3.
What are the key properties of 2-chloro-5-propan-2-yl-1H-pyrrole?
2-chloro-5-propan-2-yl-1H-pyrrole has a molecular weight of 143.62 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-yl-1H-pyrrole is sourced from PubChem (CID 59172202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).