7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one

C11H11ClN2O — CID 117318863

IUPAC7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one
SMILESNC/C=C/c1cc(Cl)cc2c1NC(=O)C2
InChIInChI=1S/C11H11ClN2O/c12-9-4-7(2-1-3-13)11-8(5-9)6-10(15)14-11/h1-2,4-5H,3,6,13H2,(H,14,15)/b2-1+
InChIKeyHKNSEMCLIIQRLU-OWOJBTEDSA-N
MW222.68 g/mol
LogP1.81
Rot. Bonds2

About 7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one

7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one (PubChem CID 117318863) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one
PubChem CID117318863
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one
SMILESNC/C=C/c1cc(Cl)cc2c1NC(=O)C2
InChIInChI=1S/C11H11ClN2O/c12-9-4-7(2-1-3-13)11-8(5-9)6-10(15)14-11/h1-2,4-5H,3,6,13H2,(H,14,15)/b2-1+
InChIKeyHKNSEMCLIIQRLU-OWOJBTEDSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one
CID 82190651
3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid
CID 115003616
7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one
CID 82173346
6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one
CID 58443033
5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one
CID 82190727
7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one
CID 117416069
7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one
CID 117374889
7-(2-aminoethyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190531
8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 82190820
5-chloro-7-(1-isocyanatocyclopropyl)-1,3-dihydroindol-2-one
CID 117374900
7-chloro-5-(3,5-dichloro-4-pyridinyl)-1,3-dihydroindol-2-one
CID 122655698
5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one
CID 69465620

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one (CID 117318863) is 7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one is NC/C=C/c1cc(Cl)cc2c1NC(=O)C2.
What is the InChIKey of 7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one?
The InChIKey is HKNSEMCLIIQRLU-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-9-4-7(2-1-3-13)11-8(5-9)6-10(15)14-11/h1-2,4-5H,3,6,13H2,(H,14,15)/b2-1+.
What are the key properties of 7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one?
7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one has a molecular weight of 222.68 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 117318863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).