4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one

C9H13NO — CID 69255011

IUPAC4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one
SMILESO=C1C=CC2CCCCC2N1
InChIInChI=1S/C9H13NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h5-8H,1-4H2,(H,10,11)
InChIKeyFYLISDLOSMISOW-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.23
Rot. Bonds

About 4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one

4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one (PubChem CID 69255011) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one
PubChem CID69255011
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one
SMILESO=C1C=CC2CCCCC2N1
InChIInChI=1S/C9H13NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h5-8H,1-4H2,(H,10,11)
InChIKeyFYLISDLOSMISOW-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one?
The IUPAC name of 4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one (CID 69255011) is 4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one.
What is the SMILES notation for 4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one?
The canonical SMILES for 4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one is O=C1C=CC2CCCCC2N1.
What is the InChIKey of 4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one?
The InChIKey is FYLISDLOSMISOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h5-8H,1-4H2,(H,10,11).
What are the key properties of 4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one?
4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one is sourced from PubChem (CID 69255011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).