(3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one

C19H10ClNO4 — CID 172653613

IUPAC(3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H10ClNO4/c20-11-5-6-15-12(8-11)13(18(23)21-15)9-16(22)14-7-10-3-1-2-4-17(10)25-19(14)24/h1-9H,(H,21,23)/b13-9-
InChIKeyYBSMOPRHCQAJPQ-LCYFTJDESA-N
MW351.75 g/mol
LogP3.66
Rot. Bonds2

About (3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one

(3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one (PubChem CID 172653613) has the molecular formula C19H10ClNO4 and a molecular weight of 351.75 g/mol. Its IUPAC name is (3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one
PubChem CID172653613
Molecular FormulaC19H10ClNO4
Molecular Weight351.75 g/mol
Exact Mass351.03
IUPAC Name(3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H10ClNO4/c20-11-5-6-15-12(8-11)13(18(23)21-15)9-16(22)14-7-10-3-1-2-4-17(10)25-19(14)24/h1-9H,(H,21,23)/b13-9-
InChIKeyYBSMOPRHCQAJPQ-LCYFTJDESA-N
XLogP3.66
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one
CID 139228161
3-[(E)-3-(4-chloroanilino)prop-2-enoyl]chromen-2-one
CID 175672888
5-chloro-3-[2-(4-fluoro-2-methoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 71949523
2-oxochromene-3-carboxylic acid
CID 161011590
5-chloro-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 71949569
3-[(2S,3R)-3-(4-chlorophenyl)oxirane-2-carbonyl]chromen-2-one
CID 11198188
5-chloro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one
CID 3943244
5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one
CID 5133305
(4-chlorophenyl)methyl 2-oxochromene-3-carboxylate
CID 962039
3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one
CID 1206009
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 1144036
3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 8642896

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one (CID 172653613) is (3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C/C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of (3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one?
The InChIKey is YBSMOPRHCQAJPQ-LCYFTJDESA-N. The full InChI is InChI=1S/C19H10ClNO4/c20-11-5-6-15-12(8-11)13(18(23)21-15)9-16(22)14-7-10-3-1-2-4-17(10)25-19(14)24/h1-9H,(H,21,23)/b13-9-.
What are the key properties of (3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one?
(3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one has a molecular weight of 351.75 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-3-[2-oxo-2-(2-oxochromen-3-yl)ethylidene]-1H-indol-2-one is sourced from PubChem (CID 172653613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).