(7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one

C20H15ClN2OS — CID 142957205

IUPAC(7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one
SMILESO=C1/C(=N\c2ccc(Cl)cc2)C2=CCC/C=C\C=C/2N1c1ccsc1
InChIInChI=1S/C20H15ClN2OS/c21-14-7-9-15(10-8-14)22-19-17-5-3-1-2-4-6-18(17)23(20(19)24)16-11-12-25-13-16/h2,4-13H,1,3H2/b4-2-,17-5?,18-6+,22-19-
InChIKeyIZLGFFPYHKKAKP-ZXNRGBJBSA-N
MW366.87 g/mol
LogP5.68
Rot. Bonds2

About (7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one

(7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one (PubChem CID 142957205) has the molecular formula C20H15ClN2OS and a molecular weight of 366.87 g/mol. Its IUPAC name is (7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one.

Molecular Properties

Compound Name(7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one
PubChem CID142957205
Molecular FormulaC20H15ClN2OS
Molecular Weight366.87 g/mol
Exact Mass366.06
IUPAC Name(7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one
SMILESO=C1/C(=N\c2ccc(Cl)cc2)C2=CCC/C=C\C=C/2N1c1ccsc1
InChIInChI=1S/C20H15ClN2OS/c21-14-7-9-15(10-8-14)22-19-17-5-3-1-2-4-6-18(17)23(20(19)24)16-11-12-25-13-16/h2,4-13H,1,3H2/b4-2-,17-5?,18-6+,22-19-
InChIKeyIZLGFFPYHKKAKP-ZXNRGBJBSA-N
XLogP5.68
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-iodophenyl)imino-1-thiophen-3-ylindol-2-one
CID 10477766
3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one
CID 10385124
3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one
CID 163533795
3-(5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)imino-1-thiophen-3-ylindol-2-one
CID 142957201
3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 4689596
1,3-bis(4-chlorophenyl)-5-(thiophen-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 4584169
2-(4-chlorophenyl)cyclohepta-2,4-dien-1-one
CID 11680147
(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(4-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9486645
1-thiophen-3-ylindole-2,3-dione
CID 22022431
5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one
CID 10093440
1-(4-chlorophenyl)-5-(thiophen-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 879136
2-thiophen-3-yl-3H-pyrazole-1-carboxamide
CID 156598317

Frequently Asked Questions

What is the IUPAC name of (7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one?
The IUPAC name of (7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one (CID 142957205) is (7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one.
What is the SMILES notation for (7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one?
The canonical SMILES for (7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one is O=C1/C(=N\c2ccc(Cl)cc2)C2=CCC/C=C\C=C/2N1c1ccsc1.
What is the InChIKey of (7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one?
The InChIKey is IZLGFFPYHKKAKP-ZXNRGBJBSA-N. The full InChI is InChI=1S/C20H15ClN2OS/c21-14-7-9-15(10-8-14)22-19-17-5-3-1-2-4-6-18(17)23(20(19)24)16-11-12-25-13-16/h2,4-13H,1,3H2/b4-2-,17-5?,18-6+,22-19-.
What are the key properties of (7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one?
(7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one has a molecular weight of 366.87 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9E)-3-(4-chlorophenyl)imino-1-thiophen-3-yl-5,6-dihydrocycloocta[b]pyrrol-2-one is sourced from PubChem (CID 142957205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).