4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine

C14H15ClN2O — CID 10539450

IUPAC4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine
SMILESClc1ccc(-c2c[nH]cc2N2CCOCC2)cc1
InChIInChI=1S/C14H15ClN2O/c15-12-3-1-11(2-4-12)13-9-16-10-14(13)17-5-7-18-8-6-17/h1-4,9-10,16H,5-8H2
InChIKeyJYORQQWLUVPUOO-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.17
Rot. Bonds2

About 4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine

4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine (PubChem CID 10539450) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine
PubChem CID10539450
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine
SMILESClc1ccc(-c2c[nH]cc2N2CCOCC2)cc1
InChIInChI=1S/C14H15ClN2O/c15-12-3-1-11(2-4-12)13-9-16-10-14(13)17-5-7-18-8-6-17/h1-4,9-10,16H,5-8H2
InChIKeyJYORQQWLUVPUOO-UHFFFAOYSA-N
XLogP3.17
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine?
The IUPAC name of 4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine (CID 10539450) is 4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine is Clc1ccc(-c2c[nH]cc2N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine?
The InChIKey is JYORQQWLUVPUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-3-1-11(2-4-12)13-9-16-10-14(13)17-5-7-18-8-6-17/h1-4,9-10,16H,5-8H2.
What are the key properties of 4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine?
4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine has a molecular weight of 262.74 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]morpholine is sourced from PubChem (CID 10539450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).