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

C11H12N2O — CID 70440034

IUPAC3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one
SMILESNC=CCC1C(=O)Nc2ccccc21
InChIInChI=1S/C11H12N2O/c12-7-3-5-9-8-4-1-2-6-10(8)13-11(9)14/h1-4,6-7,9H,5,12H2,(H,13,14)
InChIKeyJIMMMRPCMUXBDN-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.58
Rot. Bonds2

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

3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one (PubChem CID 70440034) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one
PubChem CID70440034
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one
SMILESNC=CCC1C(=O)Nc2ccccc21
InChIInChI=1S/C11H12N2O/c12-7-3-5-9-8-4-1-2-6-10(8)13-11(9)14/h1-4,6-7,9H,5,12H2,(H,13,14)
InChIKeyJIMMMRPCMUXBDN-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one (CID 70440034) is 3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one is NC=CCC1C(=O)Nc2ccccc21.
What is the InChIKey of 3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one?
The InChIKey is JIMMMRPCMUXBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-7-3-5-9-8-4-1-2-6-10(8)13-11(9)14/h1-4,6-7,9H,5,12H2,(H,13,14).
What are the key properties of 3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one?
3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 70440034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).