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

C7H10ClN — CID 58030003

IUPAC3-chloro-2-propan-2-yl-1H-pyrrole
SMILESCC(C)c1[nH]ccc1Cl
InChIInChI=1S/C7H10ClN/c1-5(2)7-6(8)3-4-9-7/h3-5,9H,1-2H3
InChIKeyPKBLJXKRSDEONW-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.79
Rot. Bonds1

About 3-chloro-2-propan-2-yl-1H-pyrrole

3-chloro-2-propan-2-yl-1H-pyrrole (PubChem CID 58030003) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 3-chloro-2-propan-2-yl-1H-pyrrole.

Molecular Properties

Compound Name3-chloro-2-propan-2-yl-1H-pyrrole
PubChem CID58030003
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name3-chloro-2-propan-2-yl-1H-pyrrole
SMILESCC(C)c1[nH]ccc1Cl
InChIInChI=1S/C7H10ClN/c1-5(2)7-6(8)3-4-9-7/h3-5,9H,1-2H3
InChIKeyPKBLJXKRSDEONW-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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Related Compounds

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(1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propan-2-yl-1H-pyrrole?
The IUPAC name of 3-chloro-2-propan-2-yl-1H-pyrrole (CID 58030003) is 3-chloro-2-propan-2-yl-1H-pyrrole.
What is the SMILES notation for 3-chloro-2-propan-2-yl-1H-pyrrole?
The canonical SMILES for 3-chloro-2-propan-2-yl-1H-pyrrole is CC(C)c1[nH]ccc1Cl.
What is the InChIKey of 3-chloro-2-propan-2-yl-1H-pyrrole?
The InChIKey is PKBLJXKRSDEONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-5(2)7-6(8)3-4-9-7/h3-5,9H,1-2H3.
What are the key properties of 3-chloro-2-propan-2-yl-1H-pyrrole?
3-chloro-2-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 3-chloro-2-propan-2-yl-1H-pyrrole is sourced from PubChem (CID 58030003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).