1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione

C14H20N2O2 — CID 159321928

IUPAC1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione
SMILESO=C1CCC2NC3C4NCCC4CC(=O)C3C2C1
InChIInChI=1S/C14H20N2O2/c17-8-1-2-10-9(6-8)12-11(18)5-7-3-4-15-13(7)14(12)16-10/h7,9-10,12-16H,1-6H2
InChIKeyJFTZNHQQULERFA-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.26
Rot. Bonds

About 1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione

1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione (PubChem CID 159321928) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione.

Molecular Properties

Compound Name1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione
PubChem CID159321928
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione
SMILESO=C1CCC2NC3C4NCCC4CC(=O)C3C2C1
InChIInChI=1S/C14H20N2O2/c17-8-1-2-10-9(6-8)12-11(18)5-7-3-4-15-13(7)14(12)16-10/h7,9-10,12-16H,1-6H2
InChIKeyJFTZNHQQULERFA-UHFFFAOYSA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione with MolForge

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Related Compounds

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3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricos-19-ene-7,12-dione
CID 173009462
5-piperidin-4-ylpyrrolidin-2-one;hydrochloride
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(1R,5S)-tricyclo[3.3.0.02,8]octan-3-one
CID 12546431
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CID 123278732
4-piperidin-2-ylcyclohexan-1-one
CID 83262290
(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione
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(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
CID 7061092
(2S)-3-(4-oxocyclohexyl)pyrrolidine-2-carboxylic acid
CID 130409934
(1R,3aS,7aS)-6-oxo-1,2,3,3a,4,5,7,7a-octahydroisoindole-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione?
The IUPAC name of 1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione (CID 159321928) is 1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione.
What is the SMILES notation for 1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione?
The canonical SMILES for 1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione is O=C1CCC2NC3C4NCCC4CC(=O)C3C2C1.
What is the InChIKey of 1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione?
The InChIKey is JFTZNHQQULERFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-8-1-2-10-9(6-8)12-11(18)5-7-3-4-15-13(7)14(12)16-10/h7,9-10,12-16H,1-6H2.
What are the key properties of 1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione?
1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione has a molecular weight of 248.33 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5a,5b,6,8,9,9a,10,10a,10b-tetradecahydropyrrolo[2,3-a]carbazole-5,7-dione is sourced from PubChem (CID 159321928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).