1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone

C11H16N2O — CID 142040441

IUPAC1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)N1CCCC2C1=CC=CC2N
InChIInChI=1S/C11H16N2O/c1-8(14)13-7-3-4-9-10(12)5-2-6-11(9)13/h2,5-6,9-10H,3-4,7,12H2,1H3
InChIKeyDMWBKBUPIKFSOE-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.03
Rot. Bonds

About 1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone

1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone (PubChem CID 142040441) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone
PubChem CID142040441
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)N1CCCC2C1=CC=CC2N
InChIInChI=1S/C11H16N2O/c1-8(14)13-7-3-4-9-10(12)5-2-6-11(9)13/h2,5-6,9-10H,3-4,7,12H2,1H3
InChIKeyDMWBKBUPIKFSOE-UHFFFAOYSA-N
XLogP1.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone (CID 142040441) is 1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone is CC(=O)N1CCCC2C1=CC=CC2N.
What is the InChIKey of 1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone?
The InChIKey is DMWBKBUPIKFSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(14)13-7-3-4-9-10(12)5-2-6-11(9)13/h2,5-6,9-10H,3-4,7,12H2,1H3.
What are the key properties of 1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone?
1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone has a molecular weight of 192.26 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 142040441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).