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

C11H12N2O — CID 66628472

IUPAC3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one
SMILESC=CC(N)C1C(=O)Nc2ccccc21
InChIInChI=1S/C11H12N2O/c1-2-8(12)10-7-5-3-4-6-9(7)13-11(10)14/h2-6,8,10H,1,12H2,(H,13,14)
InChIKeyMPZZRMWGIDGRQB-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.24
Rot. Bonds2

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

3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one (PubChem CID 66628472) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one
PubChem CID66628472
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one
SMILESC=CC(N)C1C(=O)Nc2ccccc21
InChIInChI=1S/C11H12N2O/c1-2-8(12)10-7-5-3-4-6-9(7)13-11(10)14/h2-6,8,10H,1,12H2,(H,13,14)
InChIKeyMPZZRMWGIDGRQB-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one (CID 66628472) is 3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one is C=CC(N)C1C(=O)Nc2ccccc21.
What is the InChIKey of 3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one?
The InChIKey is MPZZRMWGIDGRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-8(12)10-7-5-3-4-6-9(7)13-11(10)14/h2-6,8,10H,1,12H2,(H,13,14).
What are the key properties of 3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one?
3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 66628472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).