3-chloro-1-(ethoxymethyl)pyrrole

C7H10ClNO — CID 18957152

IUPAC3-chloro-1-(ethoxymethyl)pyrrole
SMILESCCOCn1ccc(Cl)c1
InChIInChI=1S/C7H10ClNO/c1-2-10-6-9-4-3-7(8)5-9/h3-5H,2,6H2,1H3
InChIKeyAQVRKXZKIDJQHM-UHFFFAOYSA-N
MW159.62 g/mol
LogP2.14
Rot. Bonds3

About 3-chloro-1-(ethoxymethyl)pyrrole

3-chloro-1-(ethoxymethyl)pyrrole (PubChem CID 18957152) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 3-chloro-1-(ethoxymethyl)pyrrole.

Molecular Properties

Compound Name3-chloro-1-(ethoxymethyl)pyrrole
PubChem CID18957152
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name3-chloro-1-(ethoxymethyl)pyrrole
SMILESCCOCn1ccc(Cl)c1
InChIInChI=1S/C7H10ClNO/c1-2-10-6-9-4-3-7(8)5-9/h3-5H,2,6H2,1H3
InChIKeyAQVRKXZKIDJQHM-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chloroethyl)pyrrole
CID 12674170
1-(methoxymethyl)-1H-pyrrole
CID 12632246
Ethyl pyrrole-1-carboxylate
CID 231211
1-(1-Methoxypropan-2-yl)-1H-pyrrole
CID 5036497
1H-Pyrrole, 2-chloro-1-methyl-
CID 12235270
N-Acetyl-2-chloropyrrole
CID 55260
1H-Pyrrole, 1-[[2-(trimethylsilyl)ethoxy]methyl]-
CID 11019828
1-(2-Methoxyethyl)-1H-pyrrole
CID 14814650
1-Pyrrol-1-ylethanol
CID 18004297
N-methyldichloropyrrole
CID 56999019
N-[2-(vinyloxy)ethyl]pyrrole
CID 85816906
3-Chloro-1-fluoropyrrole
CID 142777485

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(ethoxymethyl)pyrrole?
The IUPAC name of 3-chloro-1-(ethoxymethyl)pyrrole (CID 18957152) is 3-chloro-1-(ethoxymethyl)pyrrole.
What is the SMILES notation for 3-chloro-1-(ethoxymethyl)pyrrole?
The canonical SMILES for 3-chloro-1-(ethoxymethyl)pyrrole is CCOCn1ccc(Cl)c1.
What is the InChIKey of 3-chloro-1-(ethoxymethyl)pyrrole?
The InChIKey is AQVRKXZKIDJQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO/c1-2-10-6-9-4-3-7(8)5-9/h3-5H,2,6H2,1H3.
What are the key properties of 3-chloro-1-(ethoxymethyl)pyrrole?
3-chloro-1-(ethoxymethyl)pyrrole has a molecular weight of 159.62 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(ethoxymethyl)pyrrole is sourced from PubChem (CID 18957152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).