(3E)-3-(1-chloropropylidene)-1H-indol-2-one

C11H10ClNO — CID 15208855

IUPAC(3E)-3-(1-chloropropylidene)-1H-indol-2-one
SMILESCC/C(Cl)=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C11H10ClNO/c1-2-8(12)10-7-5-3-4-6-9(7)13-11(10)14/h3-6H,2H2,1H3,(H,13,14)/b10-8+
InChIKeyUFWCZJMQHQLYLH-CSKARUKUSA-N
MW207.66 g/mol
LogP3.00
Rot. Bonds1

About (3E)-3-(1-chloropropylidene)-1H-indol-2-one

(3E)-3-(1-chloropropylidene)-1H-indol-2-one (PubChem CID 15208855) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is (3E)-3-(1-chloropropylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(1-chloropropylidene)-1H-indol-2-one
PubChem CID15208855
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name(3E)-3-(1-chloropropylidene)-1H-indol-2-one
SMILESCC/C(Cl)=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C11H10ClNO/c1-2-8(12)10-7-5-3-4-6-9(7)13-11(10)14/h3-6H,2H2,1H3,(H,13,14)/b10-8+
InChIKeyUFWCZJMQHQLYLH-CSKARUKUSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.00
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)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one
CID 22154428
(3Z)-3-(1-phenylethylidene)-1H-indol-2-one
CID 12761441
diethyl (3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)butanedioate
CID 139078132
methyl (2E)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)butanoate
CID 102390150
1H-indole-2,3-dione;methylsulfinylmethane
CID 89487830
(3Z)-3-[(E)-1-phenylhept-1-en-3-ylidene]-1H-indol-2-one
CID 101447430
(3Z)-3-(1-hexylsulfonylpentylidene)-1H-indol-2-one
CID 102578633
3-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1H-indol-2-one
CID 171114637
(3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one
CID 101447427
5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide
CID 139145821
methyl 2-cyano-2-(2-oxo-1H-indol-3-ylidene)acetate
CID 3821093
copper;1H-indole-2,3-dione
CID 70626411

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-chloropropylidene)-1H-indol-2-one?
The IUPAC name of (3E)-3-(1-chloropropylidene)-1H-indol-2-one (CID 15208855) is (3E)-3-(1-chloropropylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-3-(1-chloropropylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-3-(1-chloropropylidene)-1H-indol-2-one is CC/C(Cl)=C1\C(=O)Nc2ccccc21.
What is the InChIKey of (3E)-3-(1-chloropropylidene)-1H-indol-2-one?
The InChIKey is UFWCZJMQHQLYLH-CSKARUKUSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-2-8(12)10-7-5-3-4-6-9(7)13-11(10)14/h3-6H,2H2,1H3,(H,13,14)/b10-8+.
What are the key properties of (3E)-3-(1-chloropropylidene)-1H-indol-2-one?
(3E)-3-(1-chloropropylidene)-1H-indol-2-one has a molecular weight of 207.66 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-chloropropylidene)-1H-indol-2-one is sourced from PubChem (CID 15208855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).