1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one

C11H12N2O — CID 84661496

IUPAC1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one
SMILESO=C1CNc2cc3c(cc2N1)CCC3
InChIInChI=1S/C11H12N2O/c14-11-6-12-9-4-7-2-1-3-8(7)5-10(9)13-11/h4-5,12H,1-3,6H2,(H,13,14)
InChIKeyZVZCLLSSXVDZAM-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.54
Rot. Bonds

About 1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one

1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one (PubChem CID 84661496) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one.

Molecular Properties

Compound Name1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one
PubChem CID84661496
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one
SMILESO=C1CNc2cc3c(cc2N1)CCC3
InChIInChI=1S/C11H12N2O/c14-11-6-12-9-4-7-2-1-3-8(7)5-10(9)13-11/h4-5,12H,1-3,6H2,(H,13,14)
InChIKeyZVZCLLSSXVDZAM-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-bis(ethenyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 142580649
7-sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165333
7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 84618877
methane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 143703020
8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one
CID 175813238
ethane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 91147283
4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 66827792
(4R)-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973947
2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-carbaldehyde
CID 23558916
5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one
CID 61098131
8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 57076404
(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973945

Frequently Asked Questions

What is the IUPAC name of 1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one?
The IUPAC name of 1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one (CID 84661496) is 1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one.
What is the SMILES notation for 1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one?
The canonical SMILES for 1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one is O=C1CNc2cc3c(cc2N1)CCC3.
What is the InChIKey of 1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one?
The InChIKey is ZVZCLLSSXVDZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11-6-12-9-4-7-2-1-3-8(7)5-10(9)13-11/h4-5,12H,1-3,6H2,(H,13,14).
What are the key properties of 1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one?
1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one has a molecular weight of 188.23 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one is sourced from PubChem (CID 84661496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).