1-(2-chloro-2-methoxyethyl)pyrrole

C7H10ClNO — CID 141303395

IUPAC1-(2-chloro-2-methoxyethyl)pyrrole
SMILESCOC(Cl)Cn1cccc1
InChIInChI=1S/C7H10ClNO/c1-10-7(8)6-9-4-2-3-5-9/h2-5,7H,6H2,1H3
InChIKeyBFSQQUCROLHMPG-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.70
Rot. Bonds3

About 1-(2-chloro-2-methoxyethyl)pyrrole

1-(2-chloro-2-methoxyethyl)pyrrole (PubChem CID 141303395) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 1-(2-chloro-2-methoxyethyl)pyrrole.

Molecular Properties

Compound Name1-(2-chloro-2-methoxyethyl)pyrrole
PubChem CID141303395
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name1-(2-chloro-2-methoxyethyl)pyrrole
SMILESCOC(Cl)Cn1cccc1
InChIInChI=1S/C7H10ClNO/c1-10-7(8)6-9-4-2-3-5-9/h2-5,7H,6H2,1H3
InChIKeyBFSQQUCROLHMPG-UHFFFAOYSA-N
XLogP1.70
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-methoxyethyl)pyrrole?
The IUPAC name of 1-(2-chloro-2-methoxyethyl)pyrrole (CID 141303395) is 1-(2-chloro-2-methoxyethyl)pyrrole.
What is the SMILES notation for 1-(2-chloro-2-methoxyethyl)pyrrole?
The canonical SMILES for 1-(2-chloro-2-methoxyethyl)pyrrole is COC(Cl)Cn1cccc1.
What is the InChIKey of 1-(2-chloro-2-methoxyethyl)pyrrole?
The InChIKey is BFSQQUCROLHMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO/c1-10-7(8)6-9-4-2-3-5-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-(2-chloro-2-methoxyethyl)pyrrole?
1-(2-chloro-2-methoxyethyl)pyrrole has a molecular weight of 159.62 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-methoxyethyl)pyrrole is sourced from PubChem (CID 141303395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).