3-amino-1,4,5,6-tetrahydroindol-2-one

C8H10N2O — CID 13469993

IUPAC3-amino-1,4,5,6-tetrahydroindol-2-one
SMILESNC1=C2CCCC=C2NC1=O
InChIInChI=1S/C8H10N2O/c9-7-5-3-1-2-4-6(5)10-8(7)11/h4H,1-3,9H2,(H,10,11)
InChIKeyFMMICURWXOBLES-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.40
Rot. Bonds

About 3-amino-1,4,5,6-tetrahydroindol-2-one

3-amino-1,4,5,6-tetrahydroindol-2-one (PubChem CID 13469993) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-amino-1,4,5,6-tetrahydroindol-2-one.

Molecular Properties

Compound Name3-amino-1,4,5,6-tetrahydroindol-2-one
PubChem CID13469993
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-amino-1,4,5,6-tetrahydroindol-2-one
SMILESNC1=C2CCCC=C2NC1=O
InChIInChI=1S/C8H10N2O/c9-7-5-3-1-2-4-6(5)10-8(7)11/h4H,1-3,9H2,(H,10,11)
InChIKeyFMMICURWXOBLES-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,4,5,6-tetrahydroindol-2-one?
The IUPAC name of 3-amino-1,4,5,6-tetrahydroindol-2-one (CID 13469993) is 3-amino-1,4,5,6-tetrahydroindol-2-one.
What is the SMILES notation for 3-amino-1,4,5,6-tetrahydroindol-2-one?
The canonical SMILES for 3-amino-1,4,5,6-tetrahydroindol-2-one is NC1=C2CCCC=C2NC1=O.
What is the InChIKey of 3-amino-1,4,5,6-tetrahydroindol-2-one?
The InChIKey is FMMICURWXOBLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-7-5-3-1-2-4-6(5)10-8(7)11/h4H,1-3,9H2,(H,10,11).
What are the key properties of 3-amino-1,4,5,6-tetrahydroindol-2-one?
3-amino-1,4,5,6-tetrahydroindol-2-one has a molecular weight of 150.18 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,4,5,6-tetrahydroindol-2-one is sourced from PubChem (CID 13469993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).