3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C10H14N2O — CID 50989747

IUPAC3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESNCc1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C10H14N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h5H,1-4,6,11H2,(H,12,13)
InChIKeyXQNXXQGHSDDDQO-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.71
Rot. Bonds1

About 3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 50989747) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID50989747
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESNCc1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C10H14N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h5H,1-4,6,11H2,(H,12,13)
InChIKeyXQNXXQGHSDDDQO-UHFFFAOYSA-N
XLogP0.71
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 50989747) is 3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one is NCc1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of 3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is XQNXXQGHSDDDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h5H,1-4,6,11H2,(H,12,13).
What are the key properties of 3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 178.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 50989747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).