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

C9H11NO — CID 66867494

IUPAC2,3,4a,5-tetrahydro-1H-quinolin-4-one
SMILESO=C1CCNC2=CC=CCC12
InChIInChI=1S/C9H11NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-2,4,7,10H,3,5-6H2
InChIKeyPACKYNVUQVOINR-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.01
Rot. Bonds

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

2,3,4a,5-tetrahydro-1H-quinolin-4-one (PubChem CID 66867494) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,3,4a,5-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2,3,4a,5-tetrahydro-1H-quinolin-4-one
PubChem CID66867494
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,3,4a,5-tetrahydro-1H-quinolin-4-one
SMILESO=C1CCNC2=CC=CCC12
InChIInChI=1S/C9H11NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-2,4,7,10H,3,5-6H2
InChIKeyPACKYNVUQVOINR-UHFFFAOYSA-N
XLogP1.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Oxo-hexahydroquinoline
CID 67278757
5-Oxohexahydroquinoline
CID 67278758
Hexahydroquinoline-3-carboxamide
CID 137796801
(4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one
CID 134545185
3-Methyltetrahydro-4-quinolone
CID 129795595
2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one
CID 19707352
1,4,5a,9a-Tetrahydro-1-benzazepin-5-one
CID 21291397
2,3,4a,5,6,7-hexahydro-1H-quinolin-4-one
CID 53437856
2,4,4a,8a-tetrahydro-1H-quinolin-3-one
CID 53739267
2,3,4a,8a-tetrahydro-1H-isoquinolin-4-one
CID 57036997
2,3,4a,8a-tetrahydro-1H-quinolin-4-one
CID 57088589
2,3,4,4a,6,8a-hexahydro-1H-isoquinolin-5-one
CID 57194337

Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 2,3,4a,5-tetrahydro-1H-quinolin-4-one (CID 66867494) is 2,3,4a,5-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 2,3,4a,5-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 2,3,4a,5-tetrahydro-1H-quinolin-4-one is O=C1CCNC2=CC=CCC12.
What is the InChIKey of 2,3,4a,5-tetrahydro-1H-quinolin-4-one?
The InChIKey is PACKYNVUQVOINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-2,4,7,10H,3,5-6H2.
What are the key properties of 2,3,4a,5-tetrahydro-1H-quinolin-4-one?
2,3,4a,5-tetrahydro-1H-quinolin-4-one has a molecular weight of 149.19 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 66867494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).