(3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one

C19H10ClNO — CID 163976065

IUPAC(3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C\c1ccc2cc#cccc1-2
InChIInChI=1S/C19H10ClNO/c20-14-8-9-18-16(11-14)17(19(22)21-18)10-13-7-6-12-4-2-1-3-5-15(12)13/h3-11H,(H,21,22)/b17-10+
InChIKeySUFXEFOENOZIOO-LICLKQGHSA-N
MW303.75 g/mol
LogP4.54
Rot. Bonds1

About (3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one

(3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one (PubChem CID 163976065) has the molecular formula C19H10ClNO and a molecular weight of 303.75 g/mol. Its IUPAC name is (3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one
PubChem CID163976065
Molecular FormulaC19H10ClNO
Molecular Weight303.75 g/mol
Exact Mass303.05
IUPAC Name(3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C\c1ccc2cc#cccc1-2
InChIInChI=1S/C19H10ClNO/c20-14-8-9-18-16(11-14)17(19(22)21-18)10-13-7-6-12-4-2-1-3-5-15(12)13/h3-11H,(H,21,22)/b17-10+
InChIKeySUFXEFOENOZIOO-LICLKQGHSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-5-chloro-3-[(2,4-dichlorophenyl)methylidene]-1H-indol-2-one
CID 6243320
(3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one
CID 7947107
5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one
CID 5133305
(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
CID 2449460
5-chloro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one
CID 3943244
3-[(2,4-dichlorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57120788
(3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one
CID 2688434
(3E)-5-chloro-3-[(2,4,6-trimethylphenyl)methylidene]-1H-indol-2-one
CID 112979123
3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one
CID 4838804
CID 91395349
CID 91395349
3-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 4815875
5-chloro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 3431448

Frequently Asked Questions

What is the IUPAC name of (3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one (CID 163976065) is (3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc2cc#cccc1-2.
What is the InChIKey of (3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one?
The InChIKey is SUFXEFOENOZIOO-LICLKQGHSA-N. The full InChI is InChI=1S/C19H10ClNO/c20-14-8-9-18-16(11-14)17(19(22)21-18)10-13-7-6-12-4-2-1-3-5-15(12)13/h3-11H,(H,21,22)/b17-10+.
What are the key properties of (3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one?
(3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one has a molecular weight of 303.75 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 163976065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).