3,4,4a,5-tetrahydro-1H-quinolin-2-one

C9H11NO — CID 19026177

IUPAC3,4,4a,5-tetrahydro-1H-quinolin-2-one
SMILESO=C1CCC2CC=CC=C2N1
InChIInChI=1S/C9H11NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-2,4,7H,3,5-6H2,(H,10,11)
InChIKeyYMMHAIJRFWRDMG-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.36
Rot. Bonds

About 3,4,4a,5-tetrahydro-1H-quinolin-2-one

3,4,4a,5-tetrahydro-1H-quinolin-2-one (PubChem CID 19026177) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3,4,4a,5-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3,4,4a,5-tetrahydro-1H-quinolin-2-one
PubChem CID19026177
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3,4,4a,5-tetrahydro-1H-quinolin-2-one
SMILESO=C1CCC2CC=CC=C2N1
InChIInChI=1S/C9H11NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-2,4,7H,3,5-6H2,(H,10,11)
InChIKeyYMMHAIJRFWRDMG-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3,4,4a,5-tetrahydro-1H-quinolin-2-one (CID 19026177) is 3,4,4a,5-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3,4,4a,5-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3,4,4a,5-tetrahydro-1H-quinolin-2-one is O=C1CCC2CC=CC=C2N1.
What is the InChIKey of 3,4,4a,5-tetrahydro-1H-quinolin-2-one?
The InChIKey is YMMHAIJRFWRDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-2,4,7H,3,5-6H2,(H,10,11).
What are the key properties of 3,4,4a,5-tetrahydro-1H-quinolin-2-one?
3,4,4a,5-tetrahydro-1H-quinolin-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 19026177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).