5,6,7,8-tetrahydro-4aH-quinolin-2-one

C9H11NO — CID 71303624

IUPAC5,6,7,8-tetrahydro-4aH-quinolin-2-one
SMILESO=C1C=CC2CCCCC2=N1
InChIInChI=1S/C9H11NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h5-7H,1-4H2
InChIKeySCUYOQVNIZRHHZ-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.71
Rot. Bonds

About 5,6,7,8-tetrahydro-4aH-quinolin-2-one

5,6,7,8-tetrahydro-4aH-quinolin-2-one (PubChem CID 71303624) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4aH-quinolin-2-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4aH-quinolin-2-one
PubChem CID71303624
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5,6,7,8-tetrahydro-4aH-quinolin-2-one
SMILESO=C1C=CC2CCCCC2=N1
InChIInChI=1S/C9H11NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h5-7H,1-4H2
InChIKeySCUYOQVNIZRHHZ-UHFFFAOYSA-N
XLogP1.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
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 ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4aH-quinolin-2-one?
The IUPAC name of 5,6,7,8-tetrahydro-4aH-quinolin-2-one (CID 71303624) is 5,6,7,8-tetrahydro-4aH-quinolin-2-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-4aH-quinolin-2-one?
The canonical SMILES for 5,6,7,8-tetrahydro-4aH-quinolin-2-one is O=C1C=CC2CCCCC2=N1.
What is the InChIKey of 5,6,7,8-tetrahydro-4aH-quinolin-2-one?
The InChIKey is SCUYOQVNIZRHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h5-7H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydro-4aH-quinolin-2-one?
5,6,7,8-tetrahydro-4aH-quinolin-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4aH-quinolin-2-one is sourced from PubChem (CID 71303624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).