(3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one

C19H12ClNO — CID 59301647

IUPAC(3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one
SMILESO=C1Nc2c(Cl)cccc2/C1=C/c1ccc2cccccc1-2
InChIInChI=1S/C19H12ClNO/c20-17-8-4-7-15-16(19(22)21-18(15)17)11-13-10-9-12-5-2-1-3-6-14(12)13/h1-11H,(H,21,22)/b16-11-
InChIKeyGIIRFJSSONRMEN-WJDWOHSUSA-N
MW305.76 g/mol
LogP4.94
Rot. Bonds1

About (3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one

(3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one (PubChem CID 59301647) has the molecular formula C19H12ClNO and a molecular weight of 305.76 g/mol. Its IUPAC name is (3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one
PubChem CID59301647
Molecular FormulaC19H12ClNO
Molecular Weight305.76 g/mol
Exact Mass305.06
IUPAC Name(3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one
SMILESO=C1Nc2c(Cl)cccc2/C1=C/c1ccc2cccccc1-2
InChIInChI=1S/C19H12ClNO/c20-17-8-4-7-15-16(19(22)21-18(15)17)11-13-10-9-12-5-2-1-3-6-14(12)13/h1-11H,(H,21,22)/b16-11-
InChIKeyGIIRFJSSONRMEN-WJDWOHSUSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.94
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one?
The IUPAC name of (3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one (CID 59301647) is (3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one is O=C1Nc2c(Cl)cccc2/C1=C/c1ccc2cccccc1-2.
What is the InChIKey of (3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one?
The InChIKey is GIIRFJSSONRMEN-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H12ClNO/c20-17-8-4-7-15-16(19(22)21-18(15)17)11-13-10-9-12-5-2-1-3-6-14(12)13/h1-11H,(H,21,22)/b16-11-.
What are the key properties of (3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one?
(3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one has a molecular weight of 305.76 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(azulen-1-ylmethylidene)-7-chloro-1H-indol-2-one is sourced from PubChem (CID 59301647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).