1,3,3a,4-tetrahydroindol-2-one;benzamide

C15H16N2O2 — CID 159433267

IUPAC1,3,3a,4-tetrahydroindol-2-one;benzamide
SMILESNC(=O)c1ccccc1.O=C1CC2CC=CC=C2N1
InChIInChI=1S/C8H9NO.C7H7NO/c10-8-5-6-3-1-2-4-7(6)9-8;8-7(9)6-4-2-1-3-5-6/h1-2,4,6H,3,5H2,(H,9,10);1-5H,(H2,8,9)
InChIKeyLRGDIOBCNBFLCO-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.75
Rot. Bonds1

About 1,3,3a,4-tetrahydroindol-2-one;benzamide

1,3,3a,4-tetrahydroindol-2-one;benzamide (PubChem CID 159433267) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1,3,3a,4-tetrahydroindol-2-one;benzamide.

Molecular Properties

Compound Name1,3,3a,4-tetrahydroindol-2-one;benzamide
PubChem CID159433267
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1,3,3a,4-tetrahydroindol-2-one;benzamide
SMILESNC(=O)c1ccccc1.O=C1CC2CC=CC=C2N1
InChIInChI=1S/C8H9NO.C7H7NO/c10-8-5-6-3-1-2-4-7(6)9-8;8-7(9)6-4-2-1-3-5-6/h1-2,4,6H,3,5H2,(H,9,10);1-5H,(H2,8,9)
InChIKeyLRGDIOBCNBFLCO-UHFFFAOYSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3a,4-tetrahydroindol-2-one;benzamide?
The IUPAC name of 1,3,3a,4-tetrahydroindol-2-one;benzamide (CID 159433267) is 1,3,3a,4-tetrahydroindol-2-one;benzamide.
What is the SMILES notation for 1,3,3a,4-tetrahydroindol-2-one;benzamide?
The canonical SMILES for 1,3,3a,4-tetrahydroindol-2-one;benzamide is NC(=O)c1ccccc1.O=C1CC2CC=CC=C2N1.
What is the InChIKey of 1,3,3a,4-tetrahydroindol-2-one;benzamide?
The InChIKey is LRGDIOBCNBFLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C7H7NO/c10-8-5-6-3-1-2-4-7(6)9-8;8-7(9)6-4-2-1-3-5-6/h1-2,4,6H,3,5H2,(H,9,10);1-5H,(H2,8,9).
What are the key properties of 1,3,3a,4-tetrahydroindol-2-one;benzamide?
1,3,3a,4-tetrahydroindol-2-one;benzamide has a molecular weight of 256.31 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3a,4-tetrahydroindol-2-one;benzamide is sourced from PubChem (CID 159433267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).