2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one

C12H17NO — CID 156694442

IUPAC2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one
SMILESCC(C)C1CCC2=C(N1)C(=O)CC=C2
InChIInChI=1S/C12H17NO/c1-8(2)10-7-6-9-4-3-5-11(14)12(9)13-10/h3-4,8,10,13H,5-7H2,1-2H3
InChIKeyKUZUQYHAXVAYJS-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.18
Rot. Bonds1

About 2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one

2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one (PubChem CID 156694442) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one.

Molecular Properties

Compound Name2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one
PubChem CID156694442
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one
SMILESCC(C)C1CCC2=C(N1)C(=O)CC=C2
InChIInChI=1S/C12H17NO/c1-8(2)10-7-6-9-4-3-5-11(14)12(9)13-10/h3-4,8,10,13H,5-7H2,1-2H3
InChIKeyKUZUQYHAXVAYJS-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one?
The IUPAC name of 2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one (CID 156694442) is 2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one.
What is the SMILES notation for 2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one?
The canonical SMILES for 2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one is CC(C)C1CCC2=C(N1)C(=O)CC=C2.
What is the InChIKey of 2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one?
The InChIKey is KUZUQYHAXVAYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)10-7-6-9-4-3-5-11(14)12(9)13-10/h3-4,8,10,13H,5-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one?
2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one has a molecular weight of 191.27 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one is sourced from PubChem (CID 156694442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).