(8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

C12H11FN2O — CID 10420925

IUPAC(8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
SMILESO=C1c2ccccc2N=CC2C[C@@H](F)CN12
InChIInChI=1S/C12H11FN2O/c13-8-5-9-6-14-11-4-2-1-3-10(11)12(16)15(9)7-8/h1-4,6,8-9H,5,7H2/t8-,9?/m1/s1
InChIKeyAMVYAJYCWREONQ-VEDVMXKPSA-N
MW218.23 g/mol
LogP1.96
Rot. Bonds

About (8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

(8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one (PubChem CID 10420925) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is (8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.

Molecular Properties

Compound Name(8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
PubChem CID10420925
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name(8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
SMILESO=C1c2ccccc2N=CC2C[C@@H](F)CN12
InChIInChI=1S/C12H11FN2O/c13-8-5-9-6-14-11-4-2-1-3-10(11)12(16)15(9)7-8/h1-4,6,8-9H,5,7H2/t8-,9?/m1/s1
InChIKeyAMVYAJYCWREONQ-VEDVMXKPSA-N
XLogP1.96
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 138482516
4,9-dimethyl-2,9-diazabicyclo[9.4.0]pentadeca-1(15),2,6,11,13-pentaen-10-one;ethane
CID 168890236
(12aS)-9-methyl-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one
CID 154947770
(6aS,8R)-8-hydroxy-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 11772544
4-methyl-3H-1,4-benzodiazepin-5-one
CID 71373057
(12aS)-9-[[(12aS)-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethoxy]-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one
CID 121475755
(6aS)-3-[[(6aS)-14-oxo-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepin-3-yl]oxymethoxy]-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepin-14-one
CID 121475749
8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 143515811
(6aS)-2,3-difluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 11770449
CID 5382536
CID 5382536
(12aS)-8,9-dimethoxy-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one
CID 90260204
4-oxo-3H-quinoline-3-carboxylic acid;sulfuric acid
CID 172691587

Frequently Asked Questions

What is the IUPAC name of (8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?
The IUPAC name of (8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one (CID 10420925) is (8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
What is the SMILES notation for (8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?
The canonical SMILES for (8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one is O=C1c2ccccc2N=CC2C[C@@H](F)CN12.
What is the InChIKey of (8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?
The InChIKey is AMVYAJYCWREONQ-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-8-5-9-6-14-11-4-2-1-3-10(11)12(16)15(9)7-8/h1-4,6,8-9H,5,7H2/t8-,9?/m1/s1.
What are the key properties of (8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?
(8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one has a molecular weight of 218.23 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-fluoro-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one is sourced from PubChem (CID 10420925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).