3-(2-oxo-1,3-dihydroindol-3-yl)propanal

C11H11NO2 — CID 86190152

IUPAC3-(2-oxo-1,3-dihydroindol-3-yl)propanal
SMILESO=CCCC1C(=O)Nc2ccccc21
InChIInChI=1S/C11H11NO2/c13-7-3-5-9-8-4-1-2-6-10(8)12-11(9)14/h1-2,4,6-7,9H,3,5H2,(H,12,14)
InChIKeyOWXADZMJLOEMEK-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.70
Rot. Bonds3

About 3-(2-oxo-1,3-dihydroindol-3-yl)propanal

3-(2-oxo-1,3-dihydroindol-3-yl)propanal (PubChem CID 86190152) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(2-oxo-1,3-dihydroindol-3-yl)propanal.

Molecular Properties

Compound Name3-(2-oxo-1,3-dihydroindol-3-yl)propanal
PubChem CID86190152
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-(2-oxo-1,3-dihydroindol-3-yl)propanal
SMILESO=CCCC1C(=O)Nc2ccccc21
InChIInChI=1S/C11H11NO2/c13-7-3-5-9-8-4-1-2-6-10(8)12-11(9)14/h1-2,4,6-7,9H,3,5H2,(H,12,14)
InChIKeyOWXADZMJLOEMEK-UHFFFAOYSA-N
XLogP1.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde
CID 22380583
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 589482
3-hexyl-1,3-dihydroindol-2-one
CID 106986515
oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium
CID 175320984
3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one
CID 70440034
methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate
CID 14903583
3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
CID 2803153
3-(2-methylpentyl)-1,3-dihydroindol-2-one
CID 106986975
4-chloro-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730209
N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694642
3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912552
4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110694594

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-dihydroindol-3-yl)propanal?
The IUPAC name of 3-(2-oxo-1,3-dihydroindol-3-yl)propanal (CID 86190152) is 3-(2-oxo-1,3-dihydroindol-3-yl)propanal.
What is the SMILES notation for 3-(2-oxo-1,3-dihydroindol-3-yl)propanal?
The canonical SMILES for 3-(2-oxo-1,3-dihydroindol-3-yl)propanal is O=CCCC1C(=O)Nc2ccccc21.
What is the InChIKey of 3-(2-oxo-1,3-dihydroindol-3-yl)propanal?
The InChIKey is OWXADZMJLOEMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-7-3-5-9-8-4-1-2-6-10(8)12-11(9)14/h1-2,4,6-7,9H,3,5H2,(H,12,14).
What are the key properties of 3-(2-oxo-1,3-dihydroindol-3-yl)propanal?
3-(2-oxo-1,3-dihydroindol-3-yl)propanal has a molecular weight of 189.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-dihydroindol-3-yl)propanal is sourced from PubChem (CID 86190152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).