(9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol

C21H15NO3 — CID 92537798

IUPAC(9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol
SMILESO[C@H]1c2ccccc2-c2ccc(/N=C/c3ccc4c(c3)OCO4)cc21
InChIInChI=1S/C21H15NO3/c23-21-17-4-2-1-3-15(17)16-7-6-14(10-18(16)21)22-11-13-5-8-19-20(9-13)25-12-24-19/h1-11,21,23H,12H2/b22-11+/t21-/m0/s1
InChIKeyXRSVANNHTJTWGJ-IQTGRTGDSA-N
MW329.36 g/mol
LogP4.23
Rot. Bonds2

About (9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol

(9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol (PubChem CID 92537798) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol.

Molecular Properties

Compound Name(9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol
PubChem CID92537798
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name(9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol
SMILESO[C@H]1c2ccccc2-c2ccc(/N=C/c3ccc4c(c3)OCO4)cc21
InChIInChI=1S/C21H15NO3/c23-21-17-4-2-1-3-15(17)16-7-6-14(10-18(16)21)22-11-13-5-8-19-20(9-13)25-12-24-19/h1-11,21,23H,12H2/b22-11+/t21-/m0/s1
InChIKeyXRSVANNHTJTWGJ-IQTGRTGDSA-N
XLogP4.23
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol
CID 20840675
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol
CID 6447016
1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine
CID 3562864
9H-fluoren-9-ylmethyl N-[2-(1,3-benzodioxol-5-ylmethylideneamino)ethyl]carbamate
CID 11418546
1-(1,3-benzodioxol-5-yl)-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]methanimine
CID 53315559
(3E)-3-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1-methylindol-2-one
CID 17368285
1-N',2-N'-bis[(E)-1,3-benzodioxol-5-ylmethylideneamino]ethanediimidamide
CID 98572403
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1276317
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine
CID 71525202
3-(1,3-benzodioxol-5-ylmethylidene)-2-benzofuran-1-one
CID 71353553
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3,5-ditert-butyl-4-hydroxy-N'-phenylbenzenecarboximidamide
CID 135602509
(1,3-benzodioxol-5-ylmethylideneamino) benzoate
CID 2818079

Frequently Asked Questions

What is the IUPAC name of (9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol?
The IUPAC name of (9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol (CID 92537798) is (9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol.
What is the SMILES notation for (9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol?
The canonical SMILES for (9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol is O[C@H]1c2ccccc2-c2ccc(/N=C/c3ccc4c(c3)OCO4)cc21.
What is the InChIKey of (9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol?
The InChIKey is XRSVANNHTJTWGJ-IQTGRTGDSA-N. The full InChI is InChI=1S/C21H15NO3/c23-21-17-4-2-1-3-15(17)16-7-6-14(10-18(16)21)22-11-13-5-8-19-20(9-13)25-12-24-19/h1-11,21,23H,12H2/b22-11+/t21-/m0/s1.
What are the key properties of (9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol?
(9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol has a molecular weight of 329.36 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol is sourced from PubChem (CID 92537798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).