4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one

C11H12N2O — CID 69191939

IUPAC4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one
SMILESNC=CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C11H12N2O/c12-6-2-4-8-3-1-5-10-9(8)7-11(14)13-10/h1-3,5-6H,4,7,12H2,(H,13,14)
InChIKeyNWVAQROFJXWYGR-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.20
Rot. Bonds2

About 4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one

4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one (PubChem CID 69191939) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one
PubChem CID69191939
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one
SMILESNC=CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C11H12N2O/c12-6-2-4-8-3-1-5-10-9(8)7-11(14)13-10/h1-3,5-6H,4,7,12H2,(H,13,14)
InChIKeyNWVAQROFJXWYGR-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one?
The IUPAC name of 4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one (CID 69191939) is 4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one is NC=CCc1cccc2c1CC(=O)N2.
What is the InChIKey of 4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one?
The InChIKey is NWVAQROFJXWYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-6-2-4-8-3-1-5-10-9(8)7-11(14)13-10/h1-3,5-6H,4,7,12H2,(H,13,14).
What are the key properties of 4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one?
4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 69191939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).