(2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one

C11H11NO2 — CID 11159789

IUPAC(2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one
SMILESO=C1[C@H]2Cc3ccccc3[C@H]2N1CO
InChIInChI=1S/C11H11NO2/c13-6-12-10-8-4-2-1-3-7(8)5-9(10)11(12)14/h1-4,9-10,13H,5-6H2/t9-,10+/m0/s1
InChIKeyFXKYPHNCNSJSPD-VHSXEESVSA-N
MW189.21 g/mol
LogP0.69
Rot. Bonds1

About (2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one

(2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one (PubChem CID 11159789) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one.

Molecular Properties

Compound Name(2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one
PubChem CID11159789
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one
SMILESO=C1[C@H]2Cc3ccccc3[C@H]2N1CO
InChIInChI=1S/C11H11NO2/c13-6-12-10-8-4-2-1-3-7(8)5-9(10)11(12)14/h1-4,9-10,13H,5-6H2/t9-,10+/m0/s1
InChIKeyFXKYPHNCNSJSPD-VHSXEESVSA-N
XLogP0.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
CID 67733933
2-[(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)methyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione
CID 118593700
methyl (1S,9R,12S)-11-benzyl-12-methyl-10-oxo-11,13-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxylate
CID 11727822
2-methyl-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione
CID 85416219
4-chloro-1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidin-2-one
CID 168686794
2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone
CID 158276826
(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
CID 14126785
17-hydroxy-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene
CID 15580929
2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione
CID 118651397
(1S,2S,10bR)-1,2-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 45093566
(5R,10aR)-5-[(5R,10aR)-3-oxo-1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-5-yl]-1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one
CID 155328439
2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one
CID 2776683

Frequently Asked Questions

What is the IUPAC name of (2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one?
The IUPAC name of (2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one (CID 11159789) is (2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one.
What is the SMILES notation for (2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one?
The canonical SMILES for (2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one is O=C1[C@H]2Cc3ccccc3[C@H]2N1CO.
What is the InChIKey of (2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one?
The InChIKey is FXKYPHNCNSJSPD-VHSXEESVSA-N. The full InChI is InChI=1S/C11H11NO2/c13-6-12-10-8-4-2-1-3-7(8)5-9(10)11(12)14/h1-4,9-10,13H,5-6H2/t9-,10+/m0/s1.
What are the key properties of (2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one?
(2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one has a molecular weight of 189.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one is sourced from PubChem (CID 11159789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).