4-chloro-2-propan-2-yl-3H-pyrrole

C7H10ClN — CID 155197593

IUPAC4-chloro-2-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=NC=C(Cl)C1
InChIInChI=1S/C7H10ClN/c1-5(2)7-3-6(8)4-9-7/h4-5H,3H2,1-2H3
InChIKeyRPYLKIBLBIKYHD-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.57
Rot. Bonds1

About 4-chloro-2-propan-2-yl-3H-pyrrole

4-chloro-2-propan-2-yl-3H-pyrrole (PubChem CID 155197593) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-3H-pyrrole
PubChem CID155197593
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name4-chloro-2-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=NC=C(Cl)C1
InChIInChI=1S/C7H10ClN/c1-5(2)7-3-6(8)4-9-7/h4-5H,3H2,1-2H3
InChIKeyRPYLKIBLBIKYHD-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-3H-pyrrole?
The IUPAC name of 4-chloro-2-propan-2-yl-3H-pyrrole (CID 155197593) is 4-chloro-2-propan-2-yl-3H-pyrrole.
What is the SMILES notation for 4-chloro-2-propan-2-yl-3H-pyrrole?
The canonical SMILES for 4-chloro-2-propan-2-yl-3H-pyrrole is CC(C)C1=NC=C(Cl)C1.
What is the InChIKey of 4-chloro-2-propan-2-yl-3H-pyrrole?
The InChIKey is RPYLKIBLBIKYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-5(2)7-3-6(8)4-9-7/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-2-propan-2-yl-3H-pyrrole?
4-chloro-2-propan-2-yl-3H-pyrrole has a molecular weight of 143.62 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 155197593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).