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

C7H10ClN — CID 159292527

IUPAC4-chloro-5-propan-2-yl-2H-pyrrole
SMILESCC(C)C1=NCC=C1Cl
InChIInChI=1S/C7H10ClN/c1-5(2)7-6(8)3-4-9-7/h3,5H,4H2,1-2H3
InChIKeyWWOOXUYYBDPATA-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.22
Rot. Bonds1

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

4-chloro-5-propan-2-yl-2H-pyrrole (PubChem CID 159292527) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 4-chloro-5-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name4-chloro-5-propan-2-yl-2H-pyrrole
PubChem CID159292527
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name4-chloro-5-propan-2-yl-2H-pyrrole
SMILESCC(C)C1=NCC=C1Cl
InChIInChI=1S/C7H10ClN/c1-5(2)7-6(8)3-4-9-7/h3,5H,4H2,1-2H3
InChIKeyWWOOXUYYBDPATA-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

3-chloro-2-propan-2-yl-2H-pyrrole
CID 69181316
5-chloro-4,7-dimethyl-3,4-dihydro-2H-azepine
CID 143378595
5-chloro-4-propan-2-yl-2H-pyrrole
CID 147400174
5-Chloro-2-methyl-6-propan-2-yl-2,3-dihydropyridine
CID 155273382
4-(chloromethyl)-5-methyl-2H-pyrrole
CID 165049161

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-propan-2-yl-2H-pyrrole?
The IUPAC name of 4-chloro-5-propan-2-yl-2H-pyrrole (CID 159292527) is 4-chloro-5-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 4-chloro-5-propan-2-yl-2H-pyrrole?
The canonical SMILES for 4-chloro-5-propan-2-yl-2H-pyrrole is CC(C)C1=NCC=C1Cl.
What is the InChIKey of 4-chloro-5-propan-2-yl-2H-pyrrole?
The InChIKey is WWOOXUYYBDPATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-5(2)7-6(8)3-4-9-7/h3,5H,4H2,1-2H3.
What are the key properties of 4-chloro-5-propan-2-yl-2H-pyrrole?
4-chloro-5-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 4-chloro-5-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 159292527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).