4a,6,7,8-tetrahydro-4H-quinolin-5-one

C9H11NO — CID 46835147

IUPAC4a,6,7,8-tetrahydro-4H-quinolin-5-one
SMILESO=C1CCCC2=NC=CCC12
InChIInChI=1S/C9H11NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h2,6-7H,1,3-5H2
InChIKeyBEZKUYGXNWHYSR-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.71
Rot. Bonds

About 4a,6,7,8-tetrahydro-4H-quinolin-5-one

4a,6,7,8-tetrahydro-4H-quinolin-5-one (PubChem CID 46835147) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4a,6,7,8-tetrahydro-4H-quinolin-5-one.

Molecular Properties

Compound Name4a,6,7,8-tetrahydro-4H-quinolin-5-one
PubChem CID46835147
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4a,6,7,8-tetrahydro-4H-quinolin-5-one
SMILESO=C1CCCC2=NC=CCC12
InChIInChI=1S/C9H11NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h2,6-7H,1,3-5H2
InChIKeyBEZKUYGXNWHYSR-UHFFFAOYSA-N
XLogP1.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,6,7,8-tetrahydro-4H-quinolin-5-one?
The IUPAC name of 4a,6,7,8-tetrahydro-4H-quinolin-5-one (CID 46835147) is 4a,6,7,8-tetrahydro-4H-quinolin-5-one.
What is the SMILES notation for 4a,6,7,8-tetrahydro-4H-quinolin-5-one?
The canonical SMILES for 4a,6,7,8-tetrahydro-4H-quinolin-5-one is O=C1CCCC2=NC=CCC12.
What is the InChIKey of 4a,6,7,8-tetrahydro-4H-quinolin-5-one?
The InChIKey is BEZKUYGXNWHYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h2,6-7H,1,3-5H2.
What are the key properties of 4a,6,7,8-tetrahydro-4H-quinolin-5-one?
4a,6,7,8-tetrahydro-4H-quinolin-5-one has a molecular weight of 149.19 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,6,7,8-tetrahydro-4H-quinolin-5-one is sourced from PubChem (CID 46835147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).