(3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one

C14H12ClNO2 — CID 10264656

IUPAC(3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one
SMILESO=C1CCCC/C1=C1\C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C14H12ClNO2/c15-8-5-6-11-10(7-8)13(14(18)16-11)9-3-1-2-4-12(9)17/h5-7H,1-4H2,(H,16,18)/b13-9+
InChIKeyUFWPRNMYFSCBDD-UKTHLTGXSA-N
MW261.71 g/mol
LogP3.19
Rot. Bonds

About (3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one

(3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one (PubChem CID 10264656) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is (3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one
PubChem CID10264656
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name(3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one
SMILESO=C1CCCC/C1=C1\C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C14H12ClNO2/c15-8-5-6-11-10(7-8)13(14(18)16-11)9-3-1-2-4-12(9)17/h5-7H,1-4H2,(H,16,18)/b13-9+
InChIKeyUFWPRNMYFSCBDD-UKTHLTGXSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 74372966
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one
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Frequently Asked Questions

What is the IUPAC name of (3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one?
The IUPAC name of (3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one (CID 10264656) is (3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one is O=C1CCCC/C1=C1\C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of (3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one?
The InChIKey is UFWPRNMYFSCBDD-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-8-5-6-11-10(7-8)13(14(18)16-11)9-3-1-2-4-12(9)17/h5-7H,1-4H2,(H,16,18)/b13-9+.
What are the key properties of (3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one?
(3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one has a molecular weight of 261.71 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one is sourced from PubChem (CID 10264656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).