4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine

C21H23ClN2O — CID 129237951

IUPAC4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine
SMILESClc1ccc(-n2cc(N3CCOCC3)c3/c2=C\CCC/C=C\C=3)cc1
InChIInChI=1S/C21H23ClN2O/c22-17-8-10-18(11-9-17)24-16-21(23-12-14-25-15-13-23)19-6-4-2-1-3-5-7-20(19)24/h2,4,6-11,16H,1,3,5,12-15H2/b4-2-,19-6+,20-7+
InChIKeyZWWDZWKERHDWAE-CUKGQOBWSA-N
MW354.88 g/mol
LogP3.27
Rot. Bonds2

About 4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine

4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine (PubChem CID 129237951) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine
PubChem CID129237951
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine
SMILESClc1ccc(-n2cc(N3CCOCC3)c3/c2=C\CCC/C=C\C=3)cc1
InChIInChI=1S/C21H23ClN2O/c22-17-8-10-18(11-9-17)24-16-21(23-12-14-25-15-13-23)19-6-4-2-1-3-5-7-20(19)24/h2,4,6-11,16H,1,3,5,12-15H2/b4-2-,19-6+,20-7+
InChIKeyZWWDZWKERHDWAE-CUKGQOBWSA-N
XLogP3.27
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine?
The IUPAC name of 4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine (CID 129237951) is 4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine.
What is the SMILES notation for 4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine?
The canonical SMILES for 4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine is Clc1ccc(-n2cc(N3CCOCC3)c3/c2=C\CCC/C=C\C=3)cc1.
What is the InChIKey of 4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine?
The InChIKey is ZWWDZWKERHDWAE-CUKGQOBWSA-N. The full InChI is InChI=1S/C21H23ClN2O/c22-17-8-10-18(11-9-17)24-16-21(23-12-14-25-15-13-23)19-6-4-2-1-3-5-7-20(19)24/h2,4,6-11,16H,1,3,5,12-15H2/b4-2-,19-6+,20-7+.
What are the key properties of 4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine?
4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine has a molecular weight of 354.88 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aE,5Z,10E)-1-(4-chlorophenyl)-8,9-dihydro-7H-cyclonona[b]pyrrol-3-yl]morpholine is sourced from PubChem (CID 129237951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).