(10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one

C10H13N3O — CID 70430174

IUPAC(10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one
SMILESO=C1NC2CCN3CC=CC=C3[C@@H]2N1
InChIInChI=1S/C10H13N3O/c14-10-11-7-4-6-13-5-2-1-3-8(13)9(7)12-10/h1-3,7,9H,4-6H2,(H2,11,12,14)/t7?,9-/m1/s1
InChIKeyAAQCWUNFVCVRIM-NHSZFOGYSA-N
MW191.23 g/mol
LogP0.20
Rot. Bonds

About (10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one

(10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one (PubChem CID 70430174) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one.

Molecular Properties

Compound Name(10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one
PubChem CID70430174
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one
SMILESO=C1NC2CCN3CC=CC=C3[C@@H]2N1
InChIInChI=1S/C10H13N3O/c14-10-11-7-4-6-13-5-2-1-3-8(13)9(7)12-10/h1-3,7,9H,4-6H2,(H2,11,12,14)/t7?,9-/m1/s1
InChIKeyAAQCWUNFVCVRIM-NHSZFOGYSA-N
XLogP0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one?
The IUPAC name of (10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one (CID 70430174) is (10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one.
What is the SMILES notation for (10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one?
The canonical SMILES for (10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one is O=C1NC2CCN3CC=CC=C3[C@@H]2N1.
What is the InChIKey of (10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one?
The InChIKey is AAQCWUNFVCVRIM-NHSZFOGYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10-11-7-4-6-13-5-2-1-3-8(13)9(7)12-10/h1-3,7,9H,4-6H2,(H2,11,12,14)/t7?,9-/m1/s1.
What are the key properties of (10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one?
(10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one is sourced from PubChem (CID 70430174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).