5-chloro-4-propan-2-yl-2H-pyrrole

C7H10ClN — CID 147400174

IUPAC5-chloro-4-propan-2-yl-2H-pyrrole
SMILESCC(C)C1=CCN=C1Cl
InChIInChI=1S/C7H10ClN/c1-5(2)6-3-4-9-7(6)8/h3,5H,4H2,1-2H3
InChIKeyDOPFCZIWHGZMFL-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.22
Rot. Bonds1

About 5-chloro-4-propan-2-yl-2H-pyrrole

5-chloro-4-propan-2-yl-2H-pyrrole (PubChem CID 147400174) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 5-chloro-4-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name5-chloro-4-propan-2-yl-2H-pyrrole
PubChem CID147400174
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name5-chloro-4-propan-2-yl-2H-pyrrole
SMILESCC(C)C1=CCN=C1Cl
InChIInChI=1S/C7H10ClN/c1-5(2)6-3-4-9-7(6)8/h3,5H,4H2,1-2H3
InChIKeyDOPFCZIWHGZMFL-UHFFFAOYSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-N,2-dimethylpent-2-enimidoyl chloride
CID 142087024
4-chloro-5-propan-2-yl-2H-pyrrole
CID 159292527
4-tert-butyl-5-chloro-2H-pyrrole
CID 175048893

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-propan-2-yl-2H-pyrrole?
The IUPAC name of 5-chloro-4-propan-2-yl-2H-pyrrole (CID 147400174) is 5-chloro-4-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 5-chloro-4-propan-2-yl-2H-pyrrole?
The canonical SMILES for 5-chloro-4-propan-2-yl-2H-pyrrole is CC(C)C1=CCN=C1Cl.
What is the InChIKey of 5-chloro-4-propan-2-yl-2H-pyrrole?
The InChIKey is DOPFCZIWHGZMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-5(2)6-3-4-9-7(6)8/h3,5H,4H2,1-2H3.
What are the key properties of 5-chloro-4-propan-2-yl-2H-pyrrole?
5-chloro-4-propan-2-yl-2H-pyrrole has a molecular weight of 143.62 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 147400174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).