9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one

C12H14N2O — CID 54430631

IUPAC9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one
SMILESNc1c2c(nc3c1C(=O)CCC3)CCC2
InChIInChI=1S/C12H14N2O/c13-12-7-3-1-4-8(7)14-9-5-2-6-10(15)11(9)12/h1-6H2,(H2,13,14)
InChIKeyWHEZYGQHQLBJPB-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.67
Rot. Bonds

About 9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one

9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one (PubChem CID 54430631) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one.

Molecular Properties

Compound Name9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one
PubChem CID54430631
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one
SMILESNc1c2c(nc3c1C(=O)CCC3)CCC2
InChIInChI=1S/C12H14N2O/c13-12-7-3-1-4-8(7)14-9-5-2-6-10(15)11(9)12/h1-6H2,(H2,13,14)
InChIKeyWHEZYGQHQLBJPB-UHFFFAOYSA-N
XLogP1.67
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one?
The IUPAC name of 9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one (CID 54430631) is 9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one.
What is the SMILES notation for 9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one?
The canonical SMILES for 9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one is Nc1c2c(nc3c1C(=O)CCC3)CCC2.
What is the InChIKey of 9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one?
The InChIKey is WHEZYGQHQLBJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-12-7-3-1-4-8(7)14-9-5-2-6-10(15)11(9)12/h1-6H2,(H2,13,14).
What are the key properties of 9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one?
9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one has a molecular weight of 202.26 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-1,2,3,5,6,7-hexahydrocyclopenta[b]quinolin-8-one is sourced from PubChem (CID 54430631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).