3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one

C9H12N2O — CID 45024465

IUPAC3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one
SMILESNC1C=C2CCCCC2=NC1=O
InChIInChI=1S/C9H12N2O/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h5,7H,1-4,10H2
InChIKeyOZQRTKAXACTLGA-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.80
Rot. Bonds

About 3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one

3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one (PubChem CID 45024465) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one.

Molecular Properties

Compound Name3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one
PubChem CID45024465
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one
SMILESNC1C=C2CCCCC2=NC1=O
InChIInChI=1S/C9H12N2O/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h5,7H,1-4,10H2
InChIKeyOZQRTKAXACTLGA-UHFFFAOYSA-N
XLogP0.80
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one?
The IUPAC name of 3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one (CID 45024465) is 3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one.
What is the SMILES notation for 3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one?
The canonical SMILES for 3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one is NC1C=C2CCCCC2=NC1=O.
What is the InChIKey of 3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one?
The InChIKey is OZQRTKAXACTLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h5,7H,1-4,10H2.
What are the key properties of 3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one?
3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6,7,8-tetrahydro-3H-quinolin-2-one is sourced from PubChem (CID 45024465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).