5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one

C9H12N2O — CID 5148061

IUPAC5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C9H12N2O/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h4-5,7H,1-3,10H2,(H,11,12)
InChIKeyCEXVAVXEVFFVEE-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.71
Rot. Bonds

About 5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 5148061) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID5148061
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C9H12N2O/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h4-5,7H,1-3,10H2,(H,11,12)
InChIKeyCEXVAVXEVFFVEE-UHFFFAOYSA-N
XLogP0.71
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 5148061) is 5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one is NC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is CEXVAVXEVFFVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h4-5,7H,1-3,10H2,(H,11,12).
What are the key properties of 5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 5148061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).