2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole

C9H13Cl2N — CID 146323553

IUPAC2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole
SMILESCCn1c(C(C)C)cc(Cl)c1Cl
InChIInChI=1S/C9H13Cl2N/c1-4-12-8(6(2)3)5-7(10)9(12)11/h5-6H,4H2,1-3H3
InChIKeyYMQVZKMZAGPFNK-UHFFFAOYSA-N
MW206.12 g/mol
LogP3.94
Rot. Bonds2

About 2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole

2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole (PubChem CID 146323553) has the molecular formula C9H13Cl2N and a molecular weight of 206.12 g/mol. Its IUPAC name is 2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole.

Molecular Properties

Compound Name2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole
PubChem CID146323553
Molecular FormulaC9H13Cl2N
Molecular Weight206.12 g/mol
Exact Mass205.04
IUPAC Name2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole
SMILESCCn1c(C(C)C)cc(Cl)c1Cl
InChIInChI=1S/C9H13Cl2N/c1-4-12-8(6(2)3)5-7(10)9(12)11/h5-6H,4H2,1-3H3
InChIKeyYMQVZKMZAGPFNK-UHFFFAOYSA-N
XLogP3.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole?
The IUPAC name of 2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole (CID 146323553) is 2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole.
What is the SMILES notation for 2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole?
The canonical SMILES for 2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole is CCn1c(C(C)C)cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole?
The InChIKey is YMQVZKMZAGPFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N/c1-4-12-8(6(2)3)5-7(10)9(12)11/h5-6H,4H2,1-3H3.
What are the key properties of 2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole?
2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole has a molecular weight of 206.12 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole is sourced from PubChem (CID 146323553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).