6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one

C11H12N2O — CID 58443033

IUPAC6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one
SMILESNC/C=C/c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C11H12N2O/c12-5-1-2-8-3-4-9-7-11(14)13-10(9)6-8/h1-4,6H,5,7,12H2,(H,13,14)/b2-1+
InChIKeySLBDFTHFCOEAMS-OWOJBTEDSA-N
MW188.23 g/mol
LogP1.15
Rot. Bonds2

About 6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one

6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one (PubChem CID 58443033) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one
PubChem CID58443033
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one
SMILESNC/C=C/c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C11H12N2O/c12-5-1-2-8-3-4-9-7-11(14)13-10(9)6-8/h1-4,6H,5,7,12H2,(H,13,14)/b2-1+
InChIKeySLBDFTHFCOEAMS-OWOJBTEDSA-N
XLogP1.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one (CID 58443033) is 6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one is NC/C=C/c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of 6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one?
The InChIKey is SLBDFTHFCOEAMS-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H12N2O/c12-5-1-2-8-3-4-9-7-11(14)13-10(9)6-8/h1-4,6H,5,7,12H2,(H,13,14)/b2-1+.
What are the key properties of 6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one?
6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-aminoprop-1-enyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 58443033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).